6-[4-[(2-chlorophenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-[4-[(3-fluorophenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-[4-[(2-methylphenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[3-(4-methylpiperazin-1-yl)propyl]-6-[4-(thiophen-3-ylmethylamino)phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine

C131H150ClFN24S — CID 160817242

IUPAC6-[4-[(2-chlorophenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-[4-[(3-fluorophenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-[4-[(2-methylphenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[3-(4-methylpiperazin-1-yl)propyl]-6-[4-(thiophen-3-ylmethylamino)phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESCN1CCN(CCCNc2ncc3c(n2)-c2ccccc2C(c2ccc(NCc4cccc(F)c4)cc2)C3)CC1.CN1CCN(CCCNc2ncc3c(n2)-c2ccccc2C(c2ccc(NCc4ccccc4Cl)cc2)C3)CC1.CN1CCN(CCCNc2ncc3c(n2)-c2ccccc2C(c2ccc(NCc4ccsc4)cc2)C3)CC1.Cc1ccccc1CNc1ccc(C2Cc3cnc(NCCCN4CCN(C)CC4)nc3-c3ccccc32)cc1
InChIInChI=1S/C34H40N6.C33H37ClN6.C33H37FN6.C31H36N6S/c1-25-8-3-4-9-27(25)23-36-29-14-12-26(13-15-29)32-22-28-24-37-34(38-33(28)31-11-6-5-10-30(31)32)35-16-7-17-40-20-18-39(2)19-21-40;1-39-17-19-40(20-18-39)16-6-15-35-33-37-23-26-21-30(28-8-3-4-9-29(28)32(26)38-33)24-11-13-27(14-12-24)36-22-25-7-2-5-10-31(25)34;1-39-16-18-40(19-17-39)15-5-14-35-33-37-23-26-21-31(29-8-2-3-9-30(29)32(26)38-33)25-10-12-28(13-11-25)36-22-24-6-4-7-27(34)20-24;1-36-14-16-37(17-15-36)13-4-12-32-31-34-21-25-19-29(27-5-2-3-6-28(27)30(25)35-31)24-7-9-26(10-8-24)33-20-23-11-18-38-22-23/h3-6,8-15,24,32,36H,7,16-23H2,1-2H3,(H,35,37,38);2-5,7-14,23,30,36H,6,15-22H2,1H3,(H,35,37,38);2-4,6-13,20,23,31,36H,5,14-19,21-22H2,1H3,(H,35,37,38);2-3,5-11,18,21-22,29,33H,4,12-17,19-20H2,1H3,(H,32,34,35)
InChIKeySFBFGNMCPNRUEY-UHFFFAOYSA-N
MW2147.33 g/mol
LogP23.13
Rot. Bonds36

About 6-[4-[(2-chlorophenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-[4-[(3-fluorophenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-[4-[(2-methylphenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[3-(4-methylpiperazin-1-yl)propyl]-6-[4-(thiophen-3-ylmethylamino)phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine

6-[4-[(2-chlorophenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-[4-[(3-fluorophenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-[4-[(2-methylphenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[3-(4-methylpiperazin-1-yl)propyl]-6-[4-(thiophen-3-ylmethylamino)phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine (PubChem CID 160817242) has the molecular formula C131H150ClFN24S and a molecular weight of 2147.33 g/mol. Its IUPAC name is 6-[4-[(2-chlorophenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-[4-[(3-fluorophenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-[4-[(2-methylphenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[3-(4-methylpiperazin-1-yl)propyl]-6-[4-(thiophen-3-ylmethylamino)phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine.

Molecular Properties

Compound Name6-[4-[(2-chlorophenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-[4-[(3-fluorophenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-[4-[(2-methylphenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[3-(4-methylpiperazin-1-yl)propyl]-6-[4-(thiophen-3-ylmethylamino)phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine
PubChem CID160817242
Molecular FormulaC131H150ClFN24S
Molecular Weight2147.33 g/mol
Exact Mass2145.19
IUPAC Name6-[4-[(2-chlorophenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-[4-[(3-fluorophenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-[4-[(2-methylphenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[3-(4-methylpiperazin-1-yl)propyl]-6-[4-(thiophen-3-ylmethylamino)phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESCN1CCN(CCCNc2ncc3c(n2)-c2ccccc2C(c2ccc(NCc4cccc(F)c4)cc2)C3)CC1.CN1CCN(CCCNc2ncc3c(n2)-c2ccccc2C(c2ccc(NCc4ccccc4Cl)cc2)C3)CC1.CN1CCN(CCCNc2ncc3c(n2)-c2ccccc2C(c2ccc(NCc4ccsc4)cc2)C3)CC1.Cc1ccccc1CNc1ccc(C2Cc3cnc(NCCCN4CCN(C)CC4)nc3-c3ccccc32)cc1
InChIInChI=1S/C34H40N6.C33H37ClN6.C33H37FN6.C31H36N6S/c1-25-8-3-4-9-27(25)23-36-29-14-12-26(13-15-29)32-22-28-24-37-34(38-33(28)31-11-6-5-10-30(31)32)35-16-7-17-40-20-18-39(2)19-21-40;1-39-17-19-40(20-18-39)16-6-15-35-33-37-23-26-21-30(28-8-3-4-9-29(28)32(26)38-33)24-11-13-27(14-12-24)36-22-25-7-2-5-10-31(25)34;1-39-16-18-40(19-17-39)15-5-14-35-33-37-23-26-21-31(29-8-2-3-9-30(29)32(26)38-33)25-10-12-28(13-11-25)36-22-24-6-4-7-27(34)20-24;1-36-14-16-37(17-15-36)13-4-12-32-31-34-21-25-19-29(27-5-2-3-6-28(27)30(25)35-31)24-7-9-26(10-8-24)33-20-23-11-18-38-22-23/h3-6,8-15,24,32,36H,7,16-23H2,1-2H3,(H,35,37,38);2-5,7-14,23,30,36H,6,15-22H2,1H3,(H,35,37,38);2-4,6-13,20,23,31,36H,5,14-19,21-22H2,1H3,(H,35,37,38);2-3,5-11,18,21-22,29,33H,4,12-17,19-20H2,1H3,(H,32,34,35)
InChIKeySFBFGNMCPNRUEY-UHFFFAOYSA-N
XLogP23.13
TPSA225.28 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds36
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002147.33
LogP ≤ 523.13
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[4-[(2-chlorophenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-[4-[(3-fluorophenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-[4-[(2-methylphenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[3-(4-methylpiperazin-1-yl)propyl]-6-[4-(thiophen-3-ylmethylamino)phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine with MolForge

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Related Compounds

2-[3-(3-chlorophenyl)propyl]-5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;N-ethyl-N-[[3-[2-[3-[3-(trifluoromethyl)phenyl]propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;5-fluoro-2-[3-(3-fluorophenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;N-[[(3S)-piperidin-3-yl]methyl]-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]ethanamine
CID 157347805
N-(3-aminopropyl)-N-[[3-[2-[2-(3-chlorophenyl)ethylamino]-5-fluoropyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[5-fluoro-2-[2-(3-fluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[5-fluoro-2-(2-phenylethylamino)pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-[2,2-dideuterio-2-(3,5-difluorophenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidin-2-amine;4-[3-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]phenyl]-N-(2-thiophen-2-ylethyl)pyrimidin-2-amine
CID 160312949
2-[3-(3-chlorophenyl)propyl]-5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;N-ethyl-N-[[3-[2-[3-[3-(trifluoromethyl)phenyl]propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;N-[[(3S)-piperidin-3-yl]methyl]-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]ethanamine
CID 161149606
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]spiro[5H-benzo[h]quinazoline-6,4'-piperidine];N-[(2,3-dimethylphenyl)methyl]spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-2-amine;N-[(2-phenylphenyl)methyl]spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-2-amine;N-[(4-propan-2-ylphenyl)methyl]spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-2-amine;N-[[3-(trifluoromethyl)phenyl]methyl]spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-2-amine
CID 161620644
N-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]-4-(4-methylsulfinylthiophen-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;ethane;6-fluoro-2-methyl-N-[4-(4-methylsulfanylthiophen-2-yl)-5-(trifluoromethyl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinolin-7-amine
CID 172575586
N-[3-(4-methylpiperazin-1-yl)propyl]-6-[4-(thiophen-3-ylmethylamino)phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 59489816
6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-6-propyl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine
CID 153396562
2-[3-[5-[2-[[2-[3-[3-[[6-chloro-2-(4-iodopiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]cyclohexyl]-4-iodopiperazin-1-yl]pyrido[3,4-d]pyrimidin-4-yl]amino]ethyl]thiophen-2-yl]-4-iodopiperazin-1-yl]-6-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine
CID 153396603
4-[[3-(benzenesulfonylmethyl)phenyl]methyl]-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine;4-[[3-(tert-butylsulfonylmethyl)-4-chlorophenyl]methyl]-5-methyl-N-[4-(1-methylpiperidin-4-yl)phenyl]pyrimidin-2-amine;4-[[3-(tert-butylsulfonylmethyl)-4-methylphenyl]methyl]-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine;4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-methylpyrimidin-2-amine;4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-5-methyl-N-[4-(1-methylpiperidin-4-yl)phenyl]pyrimidin-2-amine
CID 157503891
(6S)-6-(3,4-dichlorophenyl)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;(6S)-6-(3,4-dichlorophenyl)-N-[4-(2-piperidin-1-ylethyl)phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-fluorophenyl)-N-[2-(4-methylphenyl)ethyl]-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 157910384
6-(2-chlorophenyl)-N-(1H-inden-5-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(2-chlorophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;N-(1H-inden-5-yl)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 157921797
(6S)-N-[4-[2-[butyl(methyl)amino]ethyl]phenyl]-6-(4-chlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;(6R)-N-[4-[2-[butyl(methyl)amino]ethyl]phenyl]-6-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;(6S)-6-(4-chlorophenyl)-N-[4-(2-piperidin-1-ylethyl)phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 157951291

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2-chlorophenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-[4-[(3-fluorophenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-[4-[(2-methylphenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[3-(4-methylpiperazin-1-yl)propyl]-6-[4-(thiophen-3-ylmethylamino)phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine?
The IUPAC name of 6-[4-[(2-chlorophenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-[4-[(3-fluorophenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-[4-[(2-methylphenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[3-(4-methylpiperazin-1-yl)propyl]-6-[4-(thiophen-3-ylmethylamino)phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine (CID 160817242) is 6-[4-[(2-chlorophenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-[4-[(3-fluorophenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-[4-[(2-methylphenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[3-(4-methylpiperazin-1-yl)propyl]-6-[4-(thiophen-3-ylmethylamino)phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine.
What is the SMILES notation for 6-[4-[(2-chlorophenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-[4-[(3-fluorophenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-[4-[(2-methylphenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[3-(4-methylpiperazin-1-yl)propyl]-6-[4-(thiophen-3-ylmethylamino)phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine?
The canonical SMILES for 6-[4-[(2-chlorophenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-[4-[(3-fluorophenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-[4-[(2-methylphenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[3-(4-methylpiperazin-1-yl)propyl]-6-[4-(thiophen-3-ylmethylamino)phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine is CN1CCN(CCCNc2ncc3c(n2)-c2ccccc2C(c2ccc(NCc4cccc(F)c4)cc2)C3)CC1.CN1CCN(CCCNc2ncc3c(n2)-c2ccccc2C(c2ccc(NCc4ccccc4Cl)cc2)C3)CC1.CN1CCN(CCCNc2ncc3c(n2)-c2ccccc2C(c2ccc(NCc4ccsc4)cc2)C3)CC1.Cc1ccccc1CNc1ccc(C2Cc3cnc(NCCCN4CCN(C)CC4)nc3-c3ccccc32)cc1.
What is the InChIKey of 6-[4-[(2-chlorophenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-[4-[(3-fluorophenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-[4-[(2-methylphenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[3-(4-methylpiperazin-1-yl)propyl]-6-[4-(thiophen-3-ylmethylamino)phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine?
The InChIKey is SFBFGNMCPNRUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N6.C33H37ClN6.C33H37FN6.C31H36N6S/c1-25-8-3-4-9-27(25)23-36-29-14-12-26(13-15-29)32-22-28-24-37-34(38-33(28)31-11-6-5-10-30(31)32)35-16-7-17-40-20-18-39(2)19-21-40;1-39-17-19-40(20-18-39)16-6-15-35-33-37-23-26-21-30(28-8-3-4-9-29(28)32(26)38-33)24-11-13-27(14-12-24)36-22-25-7-2-5-10-31(25)34;1-39-16-18-40(19-17-39)15-5-14-35-33-37-23-26-21-31(29-8-2-3-9-30(29)32(26)38-33)25-10-12-28(13-11-25)36-22-24-6-4-7-27(34)20-24;1-36-14-16-37(17-15-36)13-4-12-32-31-34-21-25-19-29(27-5-2-3-6-28(27)30(25)35-31)24-7-9-26(10-8-24)33-20-23-11-18-38-22-23/h3-6,8-15,24,32,36H,7,16-23H2,1-2H3,(H,35,37,38);2-5,7-14,23,30,36H,6,15-22H2,1H3,(H,35,37,38);2-4,6-13,20,23,31,36H,5,14-19,21-22H2,1H3,(H,35,37,38);2-3,5-11,18,21-22,29,33H,4,12-17,19-20H2,1H3,(H,32,34,35).
What are the key properties of 6-[4-[(2-chlorophenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-[4-[(3-fluorophenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-[4-[(2-methylphenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[3-(4-methylpiperazin-1-yl)propyl]-6-[4-(thiophen-3-ylmethylamino)phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine?
6-[4-[(2-chlorophenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-[4-[(3-fluorophenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-[4-[(2-methylphenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[3-(4-methylpiperazin-1-yl)propyl]-6-[4-(thiophen-3-ylmethylamino)phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine has a molecular weight of 2147.33 g/mol, XLogP of 23.13, 36 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2-chlorophenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-[4-[(3-fluorophenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-[4-[(2-methylphenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[3-(4-methylpiperazin-1-yl)propyl]-6-[4-(thiophen-3-ylmethylamino)phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine is sourced from PubChem (CID 160817242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).