2-(5-chloro-2-fluorophenyl)-N-pyridazin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;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

C79H50Cl4F7N15 — CID 159457973

IUPAC2-(5-chloro-2-fluorophenyl)-N-pyridazin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;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.Fc1ccc(Cl)cc1-c1cc(Nc2ccnnc2)c2ccccc2n1.Nc1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ccccc12
InChIInChI=1S/C21H12ClF4N3.C20H14ClFN4.2C19H12ClFN4/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;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;20-12-5-6-16(21)15(9-12)19-10-18(24-13-7-8-22-23-11-13)14-3-1-2-4-17(14)25-19;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,23H2,(H,24,25,26);1-11H,(H,22,24,25);1-11H,(H,22,23,24,25)
InChIKeyLUFMNDZUACWAOQ-UHFFFAOYSA-N
MW1484.17 g/mol
LogP22.72
Rot. Bonds12

About 2-(5-chloro-2-fluorophenyl)-N-pyridazin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;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-pyridazin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;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 159457973) has the molecular formula C79H50Cl4F7N15 and a molecular weight of 1484.17 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-N-pyridazin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;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-pyridazin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;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 CID159457973
Molecular FormulaC79H50Cl4F7N15
Molecular Weight1484.17 g/mol
Exact Mass1481.30
IUPAC Name2-(5-chloro-2-fluorophenyl)-N-pyridazin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;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.Fc1ccc(Cl)cc1-c1cc(Nc2ccnnc2)c2ccccc2n1.Nc1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ccccc12
InChIInChI=1S/C21H12ClF4N3.C20H14ClFN4.2C19H12ClFN4/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;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;20-12-5-6-16(21)15(9-12)19-10-18(24-13-7-8-22-23-11-13)14-3-1-2-4-17(14)25-19;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,23H2,(H,24,25,26);1-11H,(H,22,24,25);1-11H,(H,22,23,24,25)
InChIKeyLUFMNDZUACWAOQ-UHFFFAOYSA-N
XLogP22.72
TPSA203.04 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001484.17
LogP ≤ 522.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 2-(5-chloro-2-fluorophenyl)-N-pyridazin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;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

4-N-(8-methylcinnolin-4-yl)-2-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]pyrimidine-2,4-diamine
CID 163404158
4-N-(8-chlorocinnolin-4-yl)-2-N-(4-piperazin-1-ylphenyl)pyrimidine-2,4-diamine
CID 163404081
2-N-(4-chlorophenyl)-4-N-(8-methylcinnolin-4-yl)pyrimidine-2,4-diamine
CID 163404084
4-N-(8-chlorocinnolin-4-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 163404087
2-N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-4-N-(8-methylcinnolin-4-yl)pyrimidine-2,4-diamine
CID 163404114
2-(5-Chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine
CID 53328062
3-[2-(5-Chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 53344957
N-[(1S)-1-(8-chloro-2-pyridin-3-ylquinolin-3-yl)-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine
CID 56928283
N-[(1R)-1-[8-chloro-2-(6-chloropyridin-3-yl)quinolin-3-yl]-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine
CID 56928285
N-{(R)-1-[8-Chloro-2-(pyridin-3-yl)quinolin-3-yl]-2,2,2-trifluoroethyl}pyrido[3,2-d]-pyrimidin-4-ylamine
CID 56929568
N-[(1R)-1-(8-chloro-2-phenylquinolin-3-yl)-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine
CID 56929569
N-[(1R)-1-[8-chloro-2-(4-methylpyridin-3-yl)quinolin-3-yl]-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine
CID 56929570

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-pyridazin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;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-pyridazin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;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 159457973) is 2-(5-chloro-2-fluorophenyl)-N-pyridazin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;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-pyridazin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;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-pyridazin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;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.Fc1ccc(Cl)cc1-c1cc(Nc2ccnnc2)c2ccccc2n1.Nc1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ccccc12.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-N-pyridazin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;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 LUFMNDZUACWAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClF4N3.C20H14ClFN4.2C19H12ClFN4/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;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;20-12-5-6-16(21)15(9-12)19-10-18(24-13-7-8-22-23-11-13)14-3-1-2-4-17(14)25-19;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,23H2,(H,24,25,26);1-11H,(H,22,24,25);1-11H,(H,22,23,24,25).
What are the key properties of 2-(5-chloro-2-fluorophenyl)-N-pyridazin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;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-pyridazin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;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 1484.17 g/mol, XLogP of 22.72, 12 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-pyridazin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-ylquinolin-4-amine;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 159457973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).