2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;1-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one;4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-3,4-diamine;2-(5-chloro-2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine

C81H50Cl4F7N15O — CID 158358383

IUPAC2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;1-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one;4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-3,4-diamine;2-(5-chloro-2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine
SMILESFc1ccc(Cl)cc1-c1cc(Nc2ccncc2C(F)(F)F)c2ccccc2n1.Fc1ccc(Cl)cc1-c1cc(Nc2ccncn2)c2ccccc2n1.Nc1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ccccc12.O=c1[nH]c2cnccc2n1-c1cc(-c2cc(Cl)ccc2F)nc2ccccc12
InChIInChI=1S/C21H12ClF4N3.C21H12ClFN4O.C20H14ClFN4.C19H12ClFN4/c22-12-5-6-16(23)14(9-12)20-10-19(13-3-1-2-4-17(13)28-20)29-18-7-8-27-11-15(18)21(24,25)26;22-12-5-6-15(23)14(9-12)17-10-20(13-3-1-2-4-16(13)25-17)27-19-7-8-24-11-18(19)26-21(27)28;21-12-5-6-15(22)14(9-12)20-10-19(13-3-1-2-4-17(13)25-20)26-18-7-8-24-11-16(18)23;20-12-5-6-15(21)14(9-12)18-10-17(25-19-7-8-22-11-23-19)13-3-1-2-4-16(13)24-18/h1-11H,(H,27,28,29);1-11H,(H,26,28);1-11H,23H2,(H,24,25,26);1-11H,(H,22,23,24,25)
InChIKeyGTDWMLBIVYQZOH-UHFFFAOYSA-N
MW1524.19 g/mol
LogP22.22
Rot. Bonds11

About 2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;1-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one;4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-3,4-diamine;2-(5-chloro-2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine

2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;1-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one;4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-3,4-diamine;2-(5-chloro-2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine (PubChem CID 158358383) has the molecular formula C81H50Cl4F7N15O and a molecular weight of 1524.19 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;1-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one;4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-3,4-diamine;2-(5-chloro-2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;1-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one;4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-3,4-diamine;2-(5-chloro-2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine
PubChem CID158358383
Molecular FormulaC81H50Cl4F7N15O
Molecular Weight1524.19 g/mol
Exact Mass1521.30
IUPAC Name2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;1-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one;4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-3,4-diamine;2-(5-chloro-2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine
SMILESFc1ccc(Cl)cc1-c1cc(Nc2ccncc2C(F)(F)F)c2ccccc2n1.Fc1ccc(Cl)cc1-c1cc(Nc2ccncn2)c2ccccc2n1.Nc1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ccccc12.O=c1[nH]c2cnccc2n1-c1cc(-c2cc(Cl)ccc2F)nc2ccccc12
InChIInChI=1S/C21H12ClF4N3.C21H12ClFN4O.C20H14ClFN4.C19H12ClFN4/c22-12-5-6-16(23)14(9-12)20-10-19(13-3-1-2-4-17(13)28-20)29-18-7-8-27-11-15(18)21(24,25)26;22-12-5-6-15(23)14(9-12)17-10-20(13-3-1-2-4-16(13)25-17)27-19-7-8-24-11-18(19)26-21(27)28;21-12-5-6-15(22)14(9-12)20-10-19(13-3-1-2-4-17(13)25-20)26-18-7-8-24-11-16(18)23;20-12-5-6-15(21)14(9-12)18-10-17(25-19-7-8-22-11-23-19)13-3-1-2-4-16(13)24-18/h1-11H,(H,27,28,29);1-11H,(H,26,28);1-11H,23H2,(H,24,25,26);1-11H,(H,22,23,24,25)
InChIKeyGTDWMLBIVYQZOH-UHFFFAOYSA-N
XLogP22.22
TPSA215.91 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001524.19
LogP ≤ 522.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;1-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one;4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-3,4-diamine;2-(5-chloro-2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine with MolForge

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Related Compounds

1-[1-[8-(2-Chlorophenyl)-9-[6-(trifluoromethyl)pyridin-3-yl]purin-6-yl]piperidin-4-yl]-3-(cyclohexylmethyl)urea
CID 135156479
1-[1-[8-(2-Chlorophenyl)-9-[6-(trifluoromethyl)pyridin-3-yl]purin-6-yl]piperidin-4-yl]-3-(2-fluorophenyl)urea
CID 135156483
N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-(7-chloroquinolin-4-yl)piperazine-1-carboxamide
CID 73669716
US11420970, Example 180
CID 156073156
US11420970, Example 196
CID 156073192
US11420970, Example 200
CID 156073193
US11420970, Example 191
CID 156073324
US11420970, Example 240
CID 156073385
US11420970, Example 237
CID 156073470
US11420970, Example 238
CID 156073473
1-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one
CID 53372061
2-N,4-N-bis[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrimidine-2,4-diamine
CID 68260945

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;1-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one;4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-3,4-diamine;2-(5-chloro-2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;1-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one;4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-3,4-diamine;2-(5-chloro-2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine (CID 158358383) is 2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;1-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one;4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-3,4-diamine;2-(5-chloro-2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;1-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one;4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-3,4-diamine;2-(5-chloro-2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;1-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one;4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-3,4-diamine;2-(5-chloro-2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine is Fc1ccc(Cl)cc1-c1cc(Nc2ccncc2C(F)(F)F)c2ccccc2n1.Fc1ccc(Cl)cc1-c1cc(Nc2ccncn2)c2ccccc2n1.Nc1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ccccc12.O=c1[nH]c2cnccc2n1-c1cc(-c2cc(Cl)ccc2F)nc2ccccc12.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;1-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one;4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-3,4-diamine;2-(5-chloro-2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine?
The InChIKey is GTDWMLBIVYQZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClF4N3.C21H12ClFN4O.C20H14ClFN4.C19H12ClFN4/c22-12-5-6-16(23)14(9-12)20-10-19(13-3-1-2-4-17(13)28-20)29-18-7-8-27-11-15(18)21(24,25)26;22-12-5-6-15(23)14(9-12)17-10-20(13-3-1-2-4-16(13)25-17)27-19-7-8-24-11-18(19)26-21(27)28;21-12-5-6-15(22)14(9-12)20-10-19(13-3-1-2-4-17(13)25-20)26-18-7-8-24-11-16(18)23;20-12-5-6-15(21)14(9-12)18-10-17(25-19-7-8-22-11-23-19)13-3-1-2-4-16(13)24-18/h1-11H,(H,27,28,29);1-11H,(H,26,28);1-11H,23H2,(H,24,25,26);1-11H,(H,22,23,24,25).
What are the key properties of 2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;1-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one;4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-3,4-diamine;2-(5-chloro-2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine?
2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;1-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one;4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-3,4-diamine;2-(5-chloro-2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine has a molecular weight of 1524.19 g/mol, XLogP of 22.22, 11 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;1-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one;4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-3,4-diamine;2-(5-chloro-2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine is sourced from PubChem (CID 158358383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).