2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-quinolin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine

C64H39Cl3F6N10 — CID 158237777

IUPAC2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-quinolin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine
SMILESFc1ccc(Cl)cc1-c1cc(Nc2ccnc3ccccc23)c2ccccc2n1.Fc1ccc(Cl)cc1-c1cc(Nc2ccncc2C(F)(F)F)c2ccccc2n1.Fc1ccc(Cl)cc1-c1cc(Nc2ccncn2)c2ccccc2n1
InChIInChI=1S/C24H15ClFN3.C21H12ClF4N3.C19H12ClFN4/c25-15-9-10-19(26)18(13-15)24-14-23(17-6-2-4-8-21(17)28-24)29-22-11-12-27-20-7-3-1-5-16(20)22;22-12-5-6-16(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;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/h1-14H,(H,27,28,29);1-11H,(H,27,28,29);1-11H,(H,22,23,24,25)
InChIKeyGFEHNYQJPCWXAW-UHFFFAOYSA-N
MW1168.43 g/mol
LogP19.07
Rot. Bonds9

About 2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-quinolin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine

2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-quinolin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine (PubChem CID 158237777) has the molecular formula C64H39Cl3F6N10 and a molecular weight of 1168.43 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-quinolin-4-ylquinolin-4-amine;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;2-(5-chloro-2-fluorophenyl)-N-quinolin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine
PubChem CID158237777
Molecular FormulaC64H39Cl3F6N10
Molecular Weight1168.43 g/mol
Exact Mass1166.23
IUPAC Name2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-quinolin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine
SMILESFc1ccc(Cl)cc1-c1cc(Nc2ccnc3ccccc23)c2ccccc2n1.Fc1ccc(Cl)cc1-c1cc(Nc2ccncc2C(F)(F)F)c2ccccc2n1.Fc1ccc(Cl)cc1-c1cc(Nc2ccncn2)c2ccccc2n1
InChIInChI=1S/C24H15ClFN3.C21H12ClF4N3.C19H12ClFN4/c25-15-9-10-19(26)18(13-15)24-14-23(17-6-2-4-8-21(17)28-24)29-22-11-12-27-20-7-3-1-5-16(20)22;22-12-5-6-16(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;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/h1-14H,(H,27,28,29);1-11H,(H,27,28,29);1-11H,(H,22,23,24,25)
InChIKeyGFEHNYQJPCWXAW-UHFFFAOYSA-N
XLogP19.07
TPSA126.32 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001168.43
LogP ≤ 519.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-quinolin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine with MolForge

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Related Compounds

Seletalisib
CID 56928390
SD-208
CID 10316032
N-[(3-chlorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2465035
2-(3-chlorophenyl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 9880709
5-chloro-N4-((S)-1-(8-chloro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)pyrimidine-2,4-diamine
CID 24944522
N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)hexane-1,6-diamine
CID 70682872
N-(7-chloroquinolin-4-yl)-N'-(2-piperidin-1-ylpyrimidin-4-yl)propane-1,3-diamine
CID 71736286
7-chloro-N-[3-[[[2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-yl]amino]methyl]-4-fluorophenyl]quinolin-4-amine
CID 71737391
N-(7-chloro-4-quinolyl)-N'-[4-(1-piperidyl)pyrimidin-2-yl]propane-1,3-diamine
CID 76328769
2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine
CID 117826052
2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-N-phenylpyrimidine-2,4-diamine
CID 117826053
2-N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-4-N-phenylpyrimidine-2,4-diamine
CID 117827308

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-quinolin-4-ylquinolin-4-amine;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;2-(5-chloro-2-fluorophenyl)-N-quinolin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine (CID 158237777) is 2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-quinolin-4-ylquinolin-4-amine;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;2-(5-chloro-2-fluorophenyl)-N-quinolin-4-ylquinolin-4-amine;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;2-(5-chloro-2-fluorophenyl)-N-quinolin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine is Fc1ccc(Cl)cc1-c1cc(Nc2ccnc3ccccc23)c2ccccc2n1.Fc1ccc(Cl)cc1-c1cc(Nc2ccncc2C(F)(F)F)c2ccccc2n1.Fc1ccc(Cl)cc1-c1cc(Nc2ccncn2)c2ccccc2n1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-quinolin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine?
The InChIKey is GFEHNYQJPCWXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClFN3.C21H12ClF4N3.C19H12ClFN4/c25-15-9-10-19(26)18(13-15)24-14-23(17-6-2-4-8-21(17)28-24)29-22-11-12-27-20-7-3-1-5-16(20)22;22-12-5-6-16(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;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/h1-14H,(H,27,28,29);1-11H,(H,27,28,29);1-11H,(H,22,23,24,25).
What are the key properties of 2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-quinolin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine?
2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-quinolin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine has a molecular weight of 1168.43 g/mol, XLogP of 19.07, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-quinolin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine is sourced from PubChem (CID 158237777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).