4-[7-(4-acetylpiperazin-1-yl)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;4-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;4-[7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;N-(4-morpholin-4-ylphenyl)-4-(7-piperazin-1-ylquinazolin-4-yl)piperidine-1-carboxamide

C116H145N27O12S — CID 160502626

IUPAC4-[7-(4-acetylpiperazin-1-yl)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;4-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;4-[7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;N-(4-morpholin-4-ylphenyl)-4-(7-piperazin-1-ylquinazolin-4-yl)piperidine-1-carboxamide
SMILESCC(=O)N1CCN(c2ccc3c(C4CCN(C(=O)Nc5ccc(N6CCOCC6)cc5)CC4)ncnc3c2)CC1.CS(=O)(=O)N1CCN(c2ccc3c(C4CCN(C(=O)Nc5ccc(N6CCOCC6)cc5)CC4)ncnc3c2)CC1.O=C(Nc1ccc(N2CCOCC2)cc1)N1CCC(c2ncnc3cc(N4CCC[C@H]4CO)ccc23)CC1.O=C(Nc1ccc(N2CCOCC2)cc1)N1CCC(c2ncnc3cc(N4CCNCC4)ccc23)CC1
InChIInChI=1S/C30H37N7O3.C29H37N7O4S.C29H36N6O3.C28H35N7O2/c1-22(38)34-12-14-35(15-13-34)26-6-7-27-28(20-26)31-21-32-29(27)23-8-10-37(11-9-23)30(39)33-24-2-4-25(5-3-24)36-16-18-40-19-17-36;1-41(38,39)36-14-12-33(13-15-36)25-6-7-26-27(20-25)30-21-31-28(26)22-8-10-35(11-9-22)29(37)32-23-2-4-24(5-3-23)34-16-18-40-19-17-34;36-19-25-2-1-11-35(25)24-7-8-26-27(18-24)30-20-31-28(26)21-9-12-34(13-10-21)29(37)32-22-3-5-23(6-4-22)33-14-16-38-17-15-33;36-28(32-22-1-3-23(4-2-22)34-15-17-37-18-16-34)35-11-7-21(8-12-35)27-25-6-5-24(19-26(25)30-20-31-27)33-13-9-29-10-14-33/h2-7,20-21,23H,8-19H2,1H3,(H,33,39);2-7,20-22H,8-19H2,1H3,(H,32,37);3-8,18,20-21,25,36H,1-2,9-17,19H2,(H,32,37);1-6,19-21,29H,7-18H2,(H,32,36)/t;;25-;/m..0./s1
InChIKeyQRZDMBUFXUKYKD-JOXKHDLKSA-N
MW2141.68 g/mol
LogP13.63
Rot. Bonds18

About 4-[7-(4-acetylpiperazin-1-yl)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;4-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;4-[7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;N-(4-morpholin-4-ylphenyl)-4-(7-piperazin-1-ylquinazolin-4-yl)piperidine-1-carboxamide

4-[7-(4-acetylpiperazin-1-yl)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;4-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;4-[7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;N-(4-morpholin-4-ylphenyl)-4-(7-piperazin-1-ylquinazolin-4-yl)piperidine-1-carboxamide (PubChem CID 160502626) has the molecular formula C116H145N27O12S and a molecular weight of 2141.68 g/mol. Its IUPAC name is 4-[7-(4-acetylpiperazin-1-yl)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;4-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;4-[7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;N-(4-morpholin-4-ylphenyl)-4-(7-piperazin-1-ylquinazolin-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[7-(4-acetylpiperazin-1-yl)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;4-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;4-[7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;N-(4-morpholin-4-ylphenyl)-4-(7-piperazin-1-ylquinazolin-4-yl)piperidine-1-carboxamide
PubChem CID160502626
Molecular FormulaC116H145N27O12S
Molecular Weight2141.68 g/mol
Exact Mass2140.13
IUPAC Name4-[7-(4-acetylpiperazin-1-yl)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;4-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;4-[7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;N-(4-morpholin-4-ylphenyl)-4-(7-piperazin-1-ylquinazolin-4-yl)piperidine-1-carboxamide
SMILESCC(=O)N1CCN(c2ccc3c(C4CCN(C(=O)Nc5ccc(N6CCOCC6)cc5)CC4)ncnc3c2)CC1.CS(=O)(=O)N1CCN(c2ccc3c(C4CCN(C(=O)Nc5ccc(N6CCOCC6)cc5)CC4)ncnc3c2)CC1.O=C(Nc1ccc(N2CCOCC2)cc1)N1CCC(c2ncnc3cc(N4CCC[C@H]4CO)ccc23)CC1.O=C(Nc1ccc(N2CCOCC2)cc1)N1CCC(c2ncnc3cc(N4CCNCC4)ccc23)CC1
InChIInChI=1S/C30H37N7O3.C29H37N7O4S.C29H36N6O3.C28H35N7O2/c1-22(38)34-12-14-35(15-13-34)26-6-7-27-28(20-26)31-21-32-29(27)23-8-10-37(11-9-23)30(39)33-24-2-4-25(5-3-24)36-16-18-40-19-17-36;1-41(38,39)36-14-12-33(13-15-36)25-6-7-26-27(20-25)30-21-31-28(26)22-8-10-35(11-9-22)29(37)32-23-2-4-24(5-3-23)34-16-18-40-19-17-34;36-19-25-2-1-11-35(25)24-7-8-26-27(18-24)30-20-31-28(26)21-9-12-34(13-10-21)29(37)32-22-3-5-23(6-4-22)33-14-16-38-17-15-33;36-28(32-22-1-3-23(4-2-22)34-15-17-37-18-16-34)35-11-7-21(8-12-35)27-25-6-5-24(19-26(25)30-20-31-27)33-13-9-29-10-14-33/h2-7,20-21,23H,8-19H2,1H3,(H,33,39);2-7,20-22H,8-19H2,1H3,(H,32,37);3-8,18,20-21,25,36H,1-2,9-17,19H2,(H,32,37);1-6,19-21,29H,7-18H2,(H,32,36)/t;;25-;/m..0./s1
InChIKeyQRZDMBUFXUKYKD-JOXKHDLKSA-N
XLogP13.63
TPSA385.27 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds18
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002141.68
LogP ≤ 513.63
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-[7-(4-acetylpiperazin-1-yl)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;4-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;4-[7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;N-(4-morpholin-4-ylphenyl)-4-(7-piperazin-1-ylquinazolin-4-yl)piperidine-1-carboxamide with MolForge

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Related Compounds

4-[7-(4-ethylpiperazin-1-yl)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide
CID 58770752
4-[7-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide
CID 58770712
N-(4-morpholin-4-ylphenyl)-4-[7-(3-piperazin-1-ylpropoxy)quinazolin-4-yl]piperidine-1-carboxamide
CID 58770838
4-[7-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide
CID 58770830
4-[7-(1-acetylazetidin-3-yl)oxyquinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;N,N-dimethyl-4-[4-[1-[(4-pyrrolidin-1-ylphenyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]piperazine-1-carboxamide;4-[7-(2-hydroxyethoxy)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;4-[7-(1-methylsulfonylazetidin-3-yl)oxyquinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;4-[7-(2-morpholin-4-yl-2-oxoethoxy)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide
CID 159032169
4-[7-(1-methylsulfonylazetidin-3-yl)oxyquinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide
CID 58770835
N-(4-morpholin-4-ylphenyl)-4-[7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]piperidine-1-carboxamide
CID 143371667
4-[7-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide
CID 58770677
N-(4-morpholin-4-ylphenyl)-4-[7-[3-(2-oxopyrrolidin-1-yl)propoxy]quinazolin-4-yl]piperidine-1-carboxamide
CID 58770802
N,N-dimethyl-4-[3-[4-[1-[(4-morpholin-4-ylphenyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]oxypropyl]piperazine-1-carboxamide
CID 58770754
4-[7-[ethyl(formyl)amino]quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;N-methylmethanamine
CID 143371677
4-[7-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;4-[7-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;N-(4-morpholin-4-ylphenyl)-4-[7-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]quinazolin-4-yl]piperidine-1-carboxamide;4-[7-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide
CID 157465493

Frequently Asked Questions

What is the IUPAC name of 4-[7-(4-acetylpiperazin-1-yl)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;4-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;4-[7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;N-(4-morpholin-4-ylphenyl)-4-(7-piperazin-1-ylquinazolin-4-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[7-(4-acetylpiperazin-1-yl)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;4-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;4-[7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;N-(4-morpholin-4-ylphenyl)-4-(7-piperazin-1-ylquinazolin-4-yl)piperidine-1-carboxamide (CID 160502626) is 4-[7-(4-acetylpiperazin-1-yl)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;4-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;4-[7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;N-(4-morpholin-4-ylphenyl)-4-(7-piperazin-1-ylquinazolin-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[7-(4-acetylpiperazin-1-yl)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;4-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;4-[7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;N-(4-morpholin-4-ylphenyl)-4-(7-piperazin-1-ylquinazolin-4-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[7-(4-acetylpiperazin-1-yl)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;4-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;4-[7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;N-(4-morpholin-4-ylphenyl)-4-(7-piperazin-1-ylquinazolin-4-yl)piperidine-1-carboxamide is CC(=O)N1CCN(c2ccc3c(C4CCN(C(=O)Nc5ccc(N6CCOCC6)cc5)CC4)ncnc3c2)CC1.CS(=O)(=O)N1CCN(c2ccc3c(C4CCN(C(=O)Nc5ccc(N6CCOCC6)cc5)CC4)ncnc3c2)CC1.O=C(Nc1ccc(N2CCOCC2)cc1)N1CCC(c2ncnc3cc(N4CCC[C@H]4CO)ccc23)CC1.O=C(Nc1ccc(N2CCOCC2)cc1)N1CCC(c2ncnc3cc(N4CCNCC4)ccc23)CC1.
What is the InChIKey of 4-[7-(4-acetylpiperazin-1-yl)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;4-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;4-[7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;N-(4-morpholin-4-ylphenyl)-4-(7-piperazin-1-ylquinazolin-4-yl)piperidine-1-carboxamide?
The InChIKey is QRZDMBUFXUKYKD-JOXKHDLKSA-N. The full InChI is InChI=1S/C30H37N7O3.C29H37N7O4S.C29H36N6O3.C28H35N7O2/c1-22(38)34-12-14-35(15-13-34)26-6-7-27-28(20-26)31-21-32-29(27)23-8-10-37(11-9-23)30(39)33-24-2-4-25(5-3-24)36-16-18-40-19-17-36;1-41(38,39)36-14-12-33(13-15-36)25-6-7-26-27(20-25)30-21-31-28(26)22-8-10-35(11-9-22)29(37)32-23-2-4-24(5-3-23)34-16-18-40-19-17-34;36-19-25-2-1-11-35(25)24-7-8-26-27(18-24)30-20-31-28(26)21-9-12-34(13-10-21)29(37)32-22-3-5-23(6-4-22)33-14-16-38-17-15-33;36-28(32-22-1-3-23(4-2-22)34-15-17-37-18-16-34)35-11-7-21(8-12-35)27-25-6-5-24(19-26(25)30-20-31-27)33-13-9-29-10-14-33/h2-7,20-21,23H,8-19H2,1H3,(H,33,39);2-7,20-22H,8-19H2,1H3,(H,32,37);3-8,18,20-21,25,36H,1-2,9-17,19H2,(H,32,37);1-6,19-21,29H,7-18H2,(H,32,36)/t;;25-;/m..0./s1.
What are the key properties of 4-[7-(4-acetylpiperazin-1-yl)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;4-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;4-[7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;N-(4-morpholin-4-ylphenyl)-4-(7-piperazin-1-ylquinazolin-4-yl)piperidine-1-carboxamide?
4-[7-(4-acetylpiperazin-1-yl)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;4-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;4-[7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;N-(4-morpholin-4-ylphenyl)-4-(7-piperazin-1-ylquinazolin-4-yl)piperidine-1-carboxamide has a molecular weight of 2141.68 g/mol, XLogP of 13.63, 18 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(4-acetylpiperazin-1-yl)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;4-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;4-[7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide;N-(4-morpholin-4-ylphenyl)-4-(7-piperazin-1-ylquinazolin-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 160502626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).