2-(5-chloro-2-fluorophenyl)-N-(1H-pyrazol-4-yl)quinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-pyridazin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-3,4-diamine

C79H51Cl4F4N15 — CID 158607479

IUPAC2-(5-chloro-2-fluorophenyl)-N-(1H-pyrazol-4-yl)quinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-pyridazin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-3,4-diamine
SMILESFc1ccc(Cl)cc1-c1cc(-n2ccc3cnccc32)c2ccccc2n1.Fc1ccc(Cl)cc1-c1cc(Nc2ccnnc2)c2ccccc2n1.Fc1ccc(Cl)cc1-c1cc(Nc2cn[nH]c2)c2ccccc2n1.Nc1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ccccc12
InChIInChI=1S/C22H13ClFN3.C20H14ClFN4.C19H12ClFN4.C18H12ClFN4/c23-15-5-6-18(24)17(11-15)20-12-22(16-3-1-2-4-19(16)26-20)27-10-8-14-13-25-9-7-21(14)27;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;19-11-5-6-15(20)14(7-11)18-8-17(23-12-9-21-22-10-12)13-3-1-2-4-16(13)24-18/h1-13H;1-11H,23H2,(H,24,25,26);1-11H,(H,22,24,25);1-10H,(H,21,22)(H,23,24)
InChIKeyHWKLLCCHLFGCBS-UHFFFAOYSA-N
MW1428.19 g/mol
LogP21.84
Rot. Bonds11

About 2-(5-chloro-2-fluorophenyl)-N-(1H-pyrazol-4-yl)quinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-pyridazin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-3,4-diamine

2-(5-chloro-2-fluorophenyl)-N-(1H-pyrazol-4-yl)quinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-pyridazin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-3,4-diamine (PubChem CID 158607479) has the molecular formula C79H51Cl4F4N15 and a molecular weight of 1428.19 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-N-(1H-pyrazol-4-yl)quinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-pyridazin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-3,4-diamine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-N-(1H-pyrazol-4-yl)quinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-pyridazin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-3,4-diamine
PubChem CID158607479
Molecular FormulaC79H51Cl4F4N15
Molecular Weight1428.19 g/mol
Exact Mass1425.31
IUPAC Name2-(5-chloro-2-fluorophenyl)-N-(1H-pyrazol-4-yl)quinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-pyridazin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-3,4-diamine
SMILESFc1ccc(Cl)cc1-c1cc(-n2ccc3cnccc32)c2ccccc2n1.Fc1ccc(Cl)cc1-c1cc(Nc2ccnnc2)c2ccccc2n1.Fc1ccc(Cl)cc1-c1cc(Nc2cn[nH]c2)c2ccccc2n1.Nc1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ccccc12
InChIInChI=1S/C22H13ClFN3.C20H14ClFN4.C19H12ClFN4.C18H12ClFN4/c23-15-5-6-18(24)17(11-15)20-12-22(16-3-1-2-4-19(16)26-20)27-10-8-14-13-25-9-7-21(14)27;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;19-11-5-6-15(20)14(7-11)18-8-17(23-12-9-21-22-10-12)13-3-1-2-4-16(13)24-18/h1-13H;1-11H,23H2,(H,24,25,26);1-11H,(H,22,24,25);1-10H,(H,21,22)(H,23,24)
InChIKeyHWKLLCCHLFGCBS-UHFFFAOYSA-N
XLogP21.84
TPSA198.84 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001428.19
LogP ≤ 521.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze 2-(5-chloro-2-fluorophenyl)-N-(1H-pyrazol-4-yl)quinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-pyridazin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-3,4-diamine with MolForge

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Related Compounds

6-(3,5-dichlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline;7-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-g]quinoxaline
CID 70277576
4-N,5-N-bis[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridazine-4,5-diamine
CID 70660108
N-[2-chloro-6-[5-[5,7-difluoro-3-[5-(4-methylindazol-1-yl)-2-pyridinyl]indazol-1-yl]pyridine-3-carboximidoyl]phenyl]pyridin-3-amine
CID 123373912
6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-(piperidin-2-ylmethyl)-1,5-naphthyridin-3-amine
CID 146661722
2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]-N-methylethanamine
CID 146661728
1-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperidin-4-amine
CID 146661729
6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine
CID 146661749
6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine
CID 146661755
2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,5-naphthyridine
CID 146661761
6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine
CID 146661764
6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-piperidin-4-yl-1,5-naphthyridin-3-amine
CID 146661768
6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[[(2R)-piperidin-2-yl]methyl]-1,5-naphthyridin-3-amine
CID 146661784

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-(1H-pyrazol-4-yl)quinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-pyridazin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-3,4-diamine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-(1H-pyrazol-4-yl)quinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-pyridazin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-3,4-diamine (CID 158607479) is 2-(5-chloro-2-fluorophenyl)-N-(1H-pyrazol-4-yl)quinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-pyridazin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-3,4-diamine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-N-(1H-pyrazol-4-yl)quinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-pyridazin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-3,4-diamine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-N-(1H-pyrazol-4-yl)quinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-pyridazin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-3,4-diamine is Fc1ccc(Cl)cc1-c1cc(-n2ccc3cnccc32)c2ccccc2n1.Fc1ccc(Cl)cc1-c1cc(Nc2ccnnc2)c2ccccc2n1.Fc1ccc(Cl)cc1-c1cc(Nc2cn[nH]c2)c2ccccc2n1.Nc1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ccccc12.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-N-(1H-pyrazol-4-yl)quinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-pyridazin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-3,4-diamine?
The InChIKey is HWKLLCCHLFGCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClFN3.C20H14ClFN4.C19H12ClFN4.C18H12ClFN4/c23-15-5-6-18(24)17(11-15)20-12-22(16-3-1-2-4-19(16)26-20)27-10-8-14-13-25-9-7-21(14)27;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;19-11-5-6-15(20)14(7-11)18-8-17(23-12-9-21-22-10-12)13-3-1-2-4-16(13)24-18/h1-13H;1-11H,23H2,(H,24,25,26);1-11H,(H,22,24,25);1-10H,(H,21,22)(H,23,24).
What are the key properties of 2-(5-chloro-2-fluorophenyl)-N-(1H-pyrazol-4-yl)quinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-pyridazin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-3,4-diamine?
2-(5-chloro-2-fluorophenyl)-N-(1H-pyrazol-4-yl)quinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-pyridazin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-3,4-diamine has a molecular weight of 1428.19 g/mol, XLogP of 21.84, 11 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-N-(1H-pyrazol-4-yl)quinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-pyridazin-4-ylquinolin-4-amine;2-(5-chloro-2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;4-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-3,4-diamine is sourced from PubChem (CID 158607479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).