bis(N-(6-chloropyrimidin-4-yl)quinolin-7-amine);N-[6-(4-cyclohexa-2,4-dien-1-ylpiperazin-1-yl)pyrimidin-4-yl]quinolin-7-amine;4,6-dichloropyrimidine;1-phenylpiperazine;quinolin-7-amine;4-(trifluoromethyl)piperidine;N-[6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]quinolin-7-amine

C97H94Cl4F6N26 — CID 158766154

IUPACbis(N-(6-chloropyrimidin-4-yl)quinolin-7-amine);N-[6-(4-cyclohexa-2,4-dien-1-ylpiperazin-1-yl)pyrimidin-4-yl]quinolin-7-amine;4,6-dichloropyrimidine;1-phenylpiperazine;quinolin-7-amine;4-(trifluoromethyl)piperidine;N-[6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]quinolin-7-amine
SMILESC1=CCC(N2CCN(c3cc(Nc4ccc5cccnc5c4)ncn3)CC2)C=C1.Clc1cc(Cl)ncn1.Clc1cc(Nc2ccc3cccnc3c2)ncn1.Clc1cc(Nc2ccc3cccnc3c2)ncn1.FC(F)(F)C1CCN(c2cc(Nc3ccc4cccnc4c3)ncn2)CC1.FC(F)(F)C1CCNCC1.Nc1ccc2cccnc2c1.c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C23H24N6.C19H18F3N5.2C13H9ClN4.C10H14N2.C9H8N2.C6H10F3N.C4H2Cl2N2/c1-2-6-20(7-3-1)28-11-13-29(14-12-28)23-16-22(25-17-26-23)27-19-9-8-18-5-4-10-24-21(18)15-19;20-19(21,22)14-5-8-27(9-6-14)18-11-17(24-12-25-18)26-15-4-3-13-2-1-7-23-16(13)10-15;2*14-12-7-13(17-8-16-12)18-10-4-3-9-2-1-5-15-11(9)6-10;1-2-4-10(5-3-1)12-8-6-11-7-9-12;10-8-4-3-7-2-1-5-11-9(7)6-8;7-6(8,9)5-1-3-10-4-2-5;5-3-1-4(6)8-2-7-3/h1-6,8-10,15-17,20H,7,11-14H2,(H,25,26,27);1-4,7,10-12,14H,5-6,8-9H2,(H,24,25,26);2*1-8H,(H,16,17,18);1-5,11H,6-9H2;1-6H,10H2;5,10H,1-4H2;1-2H
InChIKeyIPHCBCKQIGYKNL-UHFFFAOYSA-N
MW1879.80 g/mol
LogP21.41
Rot. Bonds12

About bis(N-(6-chloropyrimidin-4-yl)quinolin-7-amine);N-[6-(4-cyclohexa-2,4-dien-1-ylpiperazin-1-yl)pyrimidin-4-yl]quinolin-7-amine;4,6-dichloropyrimidine;1-phenylpiperazine;quinolin-7-amine;4-(trifluoromethyl)piperidine;N-[6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]quinolin-7-amine

bis(N-(6-chloropyrimidin-4-yl)quinolin-7-amine);N-[6-(4-cyclohexa-2,4-dien-1-ylpiperazin-1-yl)pyrimidin-4-yl]quinolin-7-amine;4,6-dichloropyrimidine;1-phenylpiperazine;quinolin-7-amine;4-(trifluoromethyl)piperidine;N-[6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]quinolin-7-amine (PubChem CID 158766154) has the molecular formula C97H94Cl4F6N26 and a molecular weight of 1879.80 g/mol. Its IUPAC name is bis(N-(6-chloropyrimidin-4-yl)quinolin-7-amine);N-[6-(4-cyclohexa-2,4-dien-1-ylpiperazin-1-yl)pyrimidin-4-yl]quinolin-7-amine;4,6-dichloropyrimidine;1-phenylpiperazine;quinolin-7-amine;4-(trifluoromethyl)piperidine;N-[6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]quinolin-7-amine.

Molecular Properties

Compound Namebis(N-(6-chloropyrimidin-4-yl)quinolin-7-amine);N-[6-(4-cyclohexa-2,4-dien-1-ylpiperazin-1-yl)pyrimidin-4-yl]quinolin-7-amine;4,6-dichloropyrimidine;1-phenylpiperazine;quinolin-7-amine;4-(trifluoromethyl)piperidine;N-[6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]quinolin-7-amine
PubChem CID158766154
Molecular FormulaC97H94Cl4F6N26
Molecular Weight1879.80 g/mol
Exact Mass1876.68
IUPAC Namebis(N-(6-chloropyrimidin-4-yl)quinolin-7-amine);N-[6-(4-cyclohexa-2,4-dien-1-ylpiperazin-1-yl)pyrimidin-4-yl]quinolin-7-amine;4,6-dichloropyrimidine;1-phenylpiperazine;quinolin-7-amine;4-(trifluoromethyl)piperidine;N-[6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]quinolin-7-amine
SMILESC1=CCC(N2CCN(c3cc(Nc4ccc5cccnc5c4)ncn3)CC2)C=C1.Clc1cc(Cl)ncn1.Clc1cc(Nc2ccc3cccnc3c2)ncn1.Clc1cc(Nc2ccc3cccnc3c2)ncn1.FC(F)(F)C1CCN(c2cc(Nc3ccc4cccnc4c3)ncn2)CC1.FC(F)(F)C1CCNCC1.Nc1ccc2cccnc2c1.c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C23H24N6.C19H18F3N5.2C13H9ClN4.C10H14N2.C9H8N2.C6H10F3N.C4H2Cl2N2/c1-2-6-20(7-3-1)28-11-13-29(14-12-28)23-16-22(25-17-26-23)27-19-9-8-18-5-4-10-24-21(18)15-19;20-19(21,22)14-5-8-27(9-6-14)18-11-17(24-12-25-18)26-15-4-3-13-2-1-7-23-16(13)10-15;2*14-12-7-13(17-8-16-12)18-10-4-3-9-2-1-5-15-11(9)6-10;1-2-4-10(5-3-1)12-8-6-11-7-9-12;10-8-4-3-7-2-1-5-11-9(7)6-8;7-6(8,9)5-1-3-10-4-2-5;5-3-1-4(6)8-2-7-3/h1-6,8-10,15-17,20H,7,11-14H2,(H,25,26,27);1-4,7,10-12,14H,5-6,8-9H2,(H,24,25,26);2*1-8H,(H,16,17,18);1-5,11H,6-9H2;1-6H,10H2;5,10H,1-4H2;1-2H
InChIKeyIPHCBCKQIGYKNL-UHFFFAOYSA-N
XLogP21.41
TPSA304.51 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds12
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001879.80
LogP ≤ 521.41
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze bis(N-(6-chloropyrimidin-4-yl)quinolin-7-amine);N-[6-(4-cyclohexa-2,4-dien-1-ylpiperazin-1-yl)pyrimidin-4-yl]quinolin-7-amine;4,6-dichloropyrimidine;1-phenylpiperazine;quinolin-7-amine;4-(trifluoromethyl)piperidine;N-[6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]quinolin-7-amine with MolForge

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Related Compounds

N-(4-chloro-5-(trifluoromethyl)pyrimidin-2-yl)-7-(3-(trifluoromethyl)pyridin-2-yl)-1,8-naphthyridin-4-amine
CID 49863799
2-N-[3-[(7-chloroquinolin-4-yl)amino]phenyl]-6-(4-methylpiperazin-1-yl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 51041708
2-N-[3-[(7-chloroquinolin-4-yl)amino]phenyl]-6-(4-ethylpiperazin-1-yl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 51041709
2-N-[3-[(7-chloroquinolin-4-yl)amino]phenyl]-6-N-[2-(diethylamino)ethyl]-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 51041711
2-N-[3-[(7-chloroquinolin-4-yl)amino]phenyl]-4-N-(4-methylphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine
CID 51041943
2-N-[3-[(7-chloroquinolin-4-yl)amino]phenyl]-6-(4-ethylpiperazin-1-yl)-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 51041944
(1R)-N'-[5-chloro-2-(5-chloro-2-pyridinyl)-6-methylpyrimidin-4-yl]-1-phenyl-N-(4-quinolin-2-ylbutyl)ethane-1,2-diamine
CID 71602694
N-(7-chloroquinolin-4-yl)-N'-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 155514504
N-(7-chloroquinolin-4-yl)-N'-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 155525837
7-N-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-4-N-pyrazin-2-ylquinoline-4,7-diamine
CID 155526541
N-(7-chloroquinolin-4-yl)-N'-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 155530695
7-N-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-4-N-pyrazin-2-ylquinoline-4,7-diamine
CID 155535226

Frequently Asked Questions

What is the IUPAC name of bis(N-(6-chloropyrimidin-4-yl)quinolin-7-amine);N-[6-(4-cyclohexa-2,4-dien-1-ylpiperazin-1-yl)pyrimidin-4-yl]quinolin-7-amine;4,6-dichloropyrimidine;1-phenylpiperazine;quinolin-7-amine;4-(trifluoromethyl)piperidine;N-[6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]quinolin-7-amine?
The IUPAC name of bis(N-(6-chloropyrimidin-4-yl)quinolin-7-amine);N-[6-(4-cyclohexa-2,4-dien-1-ylpiperazin-1-yl)pyrimidin-4-yl]quinolin-7-amine;4,6-dichloropyrimidine;1-phenylpiperazine;quinolin-7-amine;4-(trifluoromethyl)piperidine;N-[6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]quinolin-7-amine (CID 158766154) is bis(N-(6-chloropyrimidin-4-yl)quinolin-7-amine);N-[6-(4-cyclohexa-2,4-dien-1-ylpiperazin-1-yl)pyrimidin-4-yl]quinolin-7-amine;4,6-dichloropyrimidine;1-phenylpiperazine;quinolin-7-amine;4-(trifluoromethyl)piperidine;N-[6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]quinolin-7-amine.
What is the SMILES notation for bis(N-(6-chloropyrimidin-4-yl)quinolin-7-amine);N-[6-(4-cyclohexa-2,4-dien-1-ylpiperazin-1-yl)pyrimidin-4-yl]quinolin-7-amine;4,6-dichloropyrimidine;1-phenylpiperazine;quinolin-7-amine;4-(trifluoromethyl)piperidine;N-[6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]quinolin-7-amine?
The canonical SMILES for bis(N-(6-chloropyrimidin-4-yl)quinolin-7-amine);N-[6-(4-cyclohexa-2,4-dien-1-ylpiperazin-1-yl)pyrimidin-4-yl]quinolin-7-amine;4,6-dichloropyrimidine;1-phenylpiperazine;quinolin-7-amine;4-(trifluoromethyl)piperidine;N-[6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]quinolin-7-amine is C1=CCC(N2CCN(c3cc(Nc4ccc5cccnc5c4)ncn3)CC2)C=C1.Clc1cc(Cl)ncn1.Clc1cc(Nc2ccc3cccnc3c2)ncn1.Clc1cc(Nc2ccc3cccnc3c2)ncn1.FC(F)(F)C1CCN(c2cc(Nc3ccc4cccnc4c3)ncn2)CC1.FC(F)(F)C1CCNCC1.Nc1ccc2cccnc2c1.c1ccc(N2CCNCC2)cc1.
What is the InChIKey of bis(N-(6-chloropyrimidin-4-yl)quinolin-7-amine);N-[6-(4-cyclohexa-2,4-dien-1-ylpiperazin-1-yl)pyrimidin-4-yl]quinolin-7-amine;4,6-dichloropyrimidine;1-phenylpiperazine;quinolin-7-amine;4-(trifluoromethyl)piperidine;N-[6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]quinolin-7-amine?
The InChIKey is IPHCBCKQIGYKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6.C19H18F3N5.2C13H9ClN4.C10H14N2.C9H8N2.C6H10F3N.C4H2Cl2N2/c1-2-6-20(7-3-1)28-11-13-29(14-12-28)23-16-22(25-17-26-23)27-19-9-8-18-5-4-10-24-21(18)15-19;20-19(21,22)14-5-8-27(9-6-14)18-11-17(24-12-25-18)26-15-4-3-13-2-1-7-23-16(13)10-15;2*14-12-7-13(17-8-16-12)18-10-4-3-9-2-1-5-15-11(9)6-10;1-2-4-10(5-3-1)12-8-6-11-7-9-12;10-8-4-3-7-2-1-5-11-9(7)6-8;7-6(8,9)5-1-3-10-4-2-5;5-3-1-4(6)8-2-7-3/h1-6,8-10,15-17,20H,7,11-14H2,(H,25,26,27);1-4,7,10-12,14H,5-6,8-9H2,(H,24,25,26);2*1-8H,(H,16,17,18);1-5,11H,6-9H2;1-6H,10H2;5,10H,1-4H2;1-2H.
What are the key properties of bis(N-(6-chloropyrimidin-4-yl)quinolin-7-amine);N-[6-(4-cyclohexa-2,4-dien-1-ylpiperazin-1-yl)pyrimidin-4-yl]quinolin-7-amine;4,6-dichloropyrimidine;1-phenylpiperazine;quinolin-7-amine;4-(trifluoromethyl)piperidine;N-[6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]quinolin-7-amine?
bis(N-(6-chloropyrimidin-4-yl)quinolin-7-amine);N-[6-(4-cyclohexa-2,4-dien-1-ylpiperazin-1-yl)pyrimidin-4-yl]quinolin-7-amine;4,6-dichloropyrimidine;1-phenylpiperazine;quinolin-7-amine;4-(trifluoromethyl)piperidine;N-[6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]quinolin-7-amine has a molecular weight of 1879.80 g/mol, XLogP of 21.41, 12 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-(6-chloropyrimidin-4-yl)quinolin-7-amine);N-[6-(4-cyclohexa-2,4-dien-1-ylpiperazin-1-yl)pyrimidin-4-yl]quinolin-7-amine;4,6-dichloropyrimidine;1-phenylpiperazine;quinolin-7-amine;4-(trifluoromethyl)piperidine;N-[6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]quinolin-7-amine is sourced from PubChem (CID 158766154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).