4-chloro-2-(4-methoxyphenyl)quinoline;2-(4-methoxyphenyl)-N-pyridin-2-ylquinolin-4-amine;pyridin-2-amine

C42H35ClN6O2 — CID 162120150

IUPAC4-chloro-2-(4-methoxyphenyl)quinoline;2-(4-methoxyphenyl)-N-pyridin-2-ylquinolin-4-amine;pyridin-2-amine
SMILESCOc1ccc(-c2cc(Cl)c3ccccc3n2)cc1.COc1ccc(-c2cc(Nc3ccccn3)c3ccccc3n2)cc1.Nc1ccccn1
InChIInChI=1S/C21H17N3O.C16H12ClNO.C5H6N2/c1-25-16-11-9-15(10-12-16)19-14-20(24-21-8-4-5-13-22-21)17-6-2-3-7-18(17)23-19;1-19-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)18-16;6-5-3-1-2-4-7-5/h2-14H,1H3,(H,22,23,24);2-10H,1H3;1-4H,(H2,6,7)
InChIKeyZHHMRLVMLCJKDV-UHFFFAOYSA-N
MW691.24 g/mol
LogP10.28
Rot. Bonds6

About 4-chloro-2-(4-methoxyphenyl)quinoline;2-(4-methoxyphenyl)-N-pyridin-2-ylquinolin-4-amine;pyridin-2-amine

4-chloro-2-(4-methoxyphenyl)quinoline;2-(4-methoxyphenyl)-N-pyridin-2-ylquinolin-4-amine;pyridin-2-amine (PubChem CID 162120150) has the molecular formula C42H35ClN6O2 and a molecular weight of 691.24 g/mol. Its IUPAC name is 4-chloro-2-(4-methoxyphenyl)quinoline;2-(4-methoxyphenyl)-N-pyridin-2-ylquinolin-4-amine;pyridin-2-amine.

Molecular Properties

Compound Name4-chloro-2-(4-methoxyphenyl)quinoline;2-(4-methoxyphenyl)-N-pyridin-2-ylquinolin-4-amine;pyridin-2-amine
PubChem CID162120150
Molecular FormulaC42H35ClN6O2
Molecular Weight691.24 g/mol
Exact Mass690.25
IUPAC Name4-chloro-2-(4-methoxyphenyl)quinoline;2-(4-methoxyphenyl)-N-pyridin-2-ylquinolin-4-amine;pyridin-2-amine
SMILESCOc1ccc(-c2cc(Cl)c3ccccc3n2)cc1.COc1ccc(-c2cc(Nc3ccccn3)c3ccccc3n2)cc1.Nc1ccccn1
InChIInChI=1S/C21H17N3O.C16H12ClNO.C5H6N2/c1-25-16-11-9-15(10-12-16)19-14-20(24-21-8-4-5-13-22-21)17-6-2-3-7-18(17)23-19;1-19-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)18-16;6-5-3-1-2-4-7-5/h2-14H,1H3,(H,22,23,24);2-10H,1H3;1-4H,(H2,6,7)
InChIKeyZHHMRLVMLCJKDV-UHFFFAOYSA-N
XLogP10.28
TPSA108.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.24
LogP ≤ 510.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N,2-bis(4-methoxyphenyl)quinolin-4-amine
CID 10981160
2-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine
CID 121284743
4-chloro-2-(3-chloro-4-methoxyphenyl)quinoline
CID 18432969
4-(4-methoxyphenyl)-2-phenylquinoline
CID 12523263
N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)quinolin-4-amine
CID 11717826
2-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinoline
CID 90459307
4-chloro-2-pyridin-2-ylquinoline
CID 24903559
2-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-2,4-diamine
CID 70660140
N-tert-butyl-6-methoxy-2-phenylquinolin-4-amine
CID 166442199
4-chloro-7-methoxy-2-(4-propan-2-yloxyphenyl)quinoline
CID 70978267
2-[6-chloro-2-(4-methoxyphenyl)quinolin-4-yl]aniline
CID 155387914
7-N-[2-(4-methoxyphenyl)quinolin-4-yl]-1-N,4-N-dimethylheptane-1,4,7-triamine;trihydrochloride
CID 175783539

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-methoxyphenyl)quinoline;2-(4-methoxyphenyl)-N-pyridin-2-ylquinolin-4-amine;pyridin-2-amine?
The IUPAC name of 4-chloro-2-(4-methoxyphenyl)quinoline;2-(4-methoxyphenyl)-N-pyridin-2-ylquinolin-4-amine;pyridin-2-amine (CID 162120150) is 4-chloro-2-(4-methoxyphenyl)quinoline;2-(4-methoxyphenyl)-N-pyridin-2-ylquinolin-4-amine;pyridin-2-amine.
What is the SMILES notation for 4-chloro-2-(4-methoxyphenyl)quinoline;2-(4-methoxyphenyl)-N-pyridin-2-ylquinolin-4-amine;pyridin-2-amine?
The canonical SMILES for 4-chloro-2-(4-methoxyphenyl)quinoline;2-(4-methoxyphenyl)-N-pyridin-2-ylquinolin-4-amine;pyridin-2-amine is COc1ccc(-c2cc(Cl)c3ccccc3n2)cc1.COc1ccc(-c2cc(Nc3ccccn3)c3ccccc3n2)cc1.Nc1ccccn1.
What is the InChIKey of 4-chloro-2-(4-methoxyphenyl)quinoline;2-(4-methoxyphenyl)-N-pyridin-2-ylquinolin-4-amine;pyridin-2-amine?
The InChIKey is ZHHMRLVMLCJKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O.C16H12ClNO.C5H6N2/c1-25-16-11-9-15(10-12-16)19-14-20(24-21-8-4-5-13-22-21)17-6-2-3-7-18(17)23-19;1-19-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)18-16;6-5-3-1-2-4-7-5/h2-14H,1H3,(H,22,23,24);2-10H,1H3;1-4H,(H2,6,7).
What are the key properties of 4-chloro-2-(4-methoxyphenyl)quinoline;2-(4-methoxyphenyl)-N-pyridin-2-ylquinolin-4-amine;pyridin-2-amine?
4-chloro-2-(4-methoxyphenyl)quinoline;2-(4-methoxyphenyl)-N-pyridin-2-ylquinolin-4-amine;pyridin-2-amine has a molecular weight of 691.24 g/mol, XLogP of 10.28, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-methoxyphenyl)quinoline;2-(4-methoxyphenyl)-N-pyridin-2-ylquinolin-4-amine;pyridin-2-amine is sourced from PubChem (CID 162120150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).