4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyrimidine-4,6-diamine;2-(2,5-difluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-pyridin-4-ylquinolin-4-amine

C99H66ClF9N18 — CID 159952989

IUPAC4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyrimidine-4,6-diamine;2-(2,5-difluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-pyridin-4-ylquinolin-4-amine
SMILESFc1ccc(C(F)(F)F)cc1-c1cc(Nc2ccncc2)c2ccccc2n1.Fc1ccc(F)c(-c2cc(Nc3ccncc3)c3ccccc3n2)c1.Fc1ccccc1-c1cc(Nc2ccncc2)c2ccccc2n1.Fc1ccccc1-c1cc(Nc2ccncn2)c2ccccc2n1.Nc1cc(Nc2cc(-c3cc(Cl)ccc3F)nc3ccccc23)ncn1
InChIInChI=1S/C21H13F4N3.C20H13F2N3.C20H14FN3.C19H13ClFN5.C19H13FN4/c22-17-6-5-13(21(23,24)25)11-16(17)20-12-19(27-14-7-9-26-10-8-14)15-3-1-2-4-18(15)28-20;21-13-5-6-17(22)16(11-13)20-12-19(24-14-7-9-23-10-8-14)15-3-1-2-4-18(15)25-20;21-17-7-3-1-5-15(17)19-13-20(23-14-9-11-22-12-10-14)16-6-2-4-8-18(16)24-19;20-11-5-6-14(21)13(7-11)17-8-16(12-3-1-2-4-15(12)25-17)26-19-9-18(22)23-10-24-19;20-15-7-3-1-5-13(15)17-11-18(24-19-9-10-21-12-22-19)14-6-2-4-8-16(14)23-17/h1-12H,(H,26,27,28);1-12H,(H,23,24,25);1-13H,(H,22,23,24);1-10H,(H3,22,23,24,25,26);1-12H,(H,21,22,23,24)
InChIKeyOCISTAXJGOACPG-UHFFFAOYSA-N
MW1714.18 g/mol
LogP26.08
Rot. Bonds15

About 4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyrimidine-4,6-diamine;2-(2,5-difluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-pyridin-4-ylquinolin-4-amine

4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyrimidine-4,6-diamine;2-(2,5-difluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-pyridin-4-ylquinolin-4-amine (PubChem CID 159952989) has the molecular formula C99H66ClF9N18 and a molecular weight of 1714.18 g/mol. Its IUPAC name is 4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyrimidine-4,6-diamine;2-(2,5-difluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-pyridin-4-ylquinolin-4-amine.

Molecular Properties

Compound Name4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyrimidine-4,6-diamine;2-(2,5-difluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-pyridin-4-ylquinolin-4-amine
PubChem CID159952989
Molecular FormulaC99H66ClF9N18
Molecular Weight1714.18 g/mol
Exact Mass1712.53
IUPAC Name4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyrimidine-4,6-diamine;2-(2,5-difluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-pyridin-4-ylquinolin-4-amine
SMILESFc1ccc(C(F)(F)F)cc1-c1cc(Nc2ccncc2)c2ccccc2n1.Fc1ccc(F)c(-c2cc(Nc3ccncc3)c3ccccc3n2)c1.Fc1ccccc1-c1cc(Nc2ccncc2)c2ccccc2n1.Fc1ccccc1-c1cc(Nc2ccncn2)c2ccccc2n1.Nc1cc(Nc2cc(-c3cc(Cl)ccc3F)nc3ccccc23)ncn1
InChIInChI=1S/C21H13F4N3.C20H13F2N3.C20H14FN3.C19H13ClFN5.C19H13FN4/c22-17-6-5-13(21(23,24)25)11-16(17)20-12-19(27-14-7-9-26-10-8-14)15-3-1-2-4-18(15)28-20;21-13-5-6-17(22)16(11-13)20-12-19(24-14-7-9-23-10-8-14)15-3-1-2-4-18(15)25-20;21-17-7-3-1-5-15(17)19-13-20(23-14-9-11-22-12-10-14)16-6-2-4-8-18(16)24-19;20-11-5-6-14(21)13(7-11)17-8-16(12-3-1-2-4-15(12)25-17)26-19-9-18(22)23-10-24-19;20-15-7-3-1-5-13(15)17-11-18(24-19-9-10-21-12-22-19)14-6-2-4-8-16(14)23-17/h1-12H,(H,26,27,28);1-12H,(H,23,24,25);1-13H,(H,22,23,24);1-10H,(H3,22,23,24,25,26);1-12H,(H,21,22,23,24)
InChIKeyOCISTAXJGOACPG-UHFFFAOYSA-N
XLogP26.08
TPSA240.85 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001714.18
LogP ≤ 526.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyrimidine-4,6-diamine;2-(2,5-difluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-pyridin-4-ylquinolin-4-amine with MolForge

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Related Compounds

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Aminoisoquinoline, 12b
CID 44473101
Aminoisoquinoline, 13
CID 44473102
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
7-chloro-N-[3-[[[2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-yl]amino]methyl]-4-fluorophenyl]quinolin-4-amine
CID 71737391
2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine
CID 117826052
7-chloro-N-(4-fluoro-3-(((6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl)amino)methyl)phenyl)quinolin-4-amine
CID 117827326
7-chloro-N-[4-fluoro-3-[[[6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]methyl]phenyl]quinolin-4-amine
CID 117827340
7-chloro-N-[4-fluoro-3-[[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]methyl]phenyl]quinolin-4-amine
CID 117827387

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyrimidine-4,6-diamine;2-(2,5-difluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-pyridin-4-ylquinolin-4-amine?
The IUPAC name of 4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyrimidine-4,6-diamine;2-(2,5-difluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-pyridin-4-ylquinolin-4-amine (CID 159952989) is 4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyrimidine-4,6-diamine;2-(2,5-difluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-pyridin-4-ylquinolin-4-amine.
What is the SMILES notation for 4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyrimidine-4,6-diamine;2-(2,5-difluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-pyridin-4-ylquinolin-4-amine?
The canonical SMILES for 4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyrimidine-4,6-diamine;2-(2,5-difluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-pyridin-4-ylquinolin-4-amine is Fc1ccc(C(F)(F)F)cc1-c1cc(Nc2ccncc2)c2ccccc2n1.Fc1ccc(F)c(-c2cc(Nc3ccncc3)c3ccccc3n2)c1.Fc1ccccc1-c1cc(Nc2ccncc2)c2ccccc2n1.Fc1ccccc1-c1cc(Nc2ccncn2)c2ccccc2n1.Nc1cc(Nc2cc(-c3cc(Cl)ccc3F)nc3ccccc23)ncn1.
What is the InChIKey of 4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyrimidine-4,6-diamine;2-(2,5-difluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-pyridin-4-ylquinolin-4-amine?
The InChIKey is OCISTAXJGOACPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F4N3.C20H13F2N3.C20H14FN3.C19H13ClFN5.C19H13FN4/c22-17-6-5-13(21(23,24)25)11-16(17)20-12-19(27-14-7-9-26-10-8-14)15-3-1-2-4-18(15)28-20;21-13-5-6-17(22)16(11-13)20-12-19(24-14-7-9-23-10-8-14)15-3-1-2-4-18(15)25-20;21-17-7-3-1-5-15(17)19-13-20(23-14-9-11-22-12-10-14)16-6-2-4-8-18(16)24-19;20-11-5-6-14(21)13(7-11)17-8-16(12-3-1-2-4-15(12)25-17)26-19-9-18(22)23-10-24-19;20-15-7-3-1-5-13(15)17-11-18(24-19-9-10-21-12-22-19)14-6-2-4-8-16(14)23-17/h1-12H,(H,26,27,28);1-12H,(H,23,24,25);1-13H,(H,22,23,24);1-10H,(H3,22,23,24,25,26);1-12H,(H,21,22,23,24).
What are the key properties of 4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyrimidine-4,6-diamine;2-(2,5-difluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-pyridin-4-ylquinolin-4-amine?
4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyrimidine-4,6-diamine;2-(2,5-difluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-pyridin-4-ylquinolin-4-amine has a molecular weight of 1714.18 g/mol, XLogP of 26.08, 15 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyrimidine-4,6-diamine;2-(2,5-difluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-pyridin-4-ylquinolin-4-amine is sourced from PubChem (CID 159952989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).