6-chloro-N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)quinolin-2-amine

C23H18Cl2N2O — CID 166443079

IUPAC6-chloro-N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)quinolin-2-amine
SMILESCOc1ccc(-c2cc3cc(Cl)ccc3nc2NCc2ccccc2Cl)cc1
InChIInChI=1S/C23H18Cl2N2O/c1-28-19-9-6-15(7-10-19)20-13-17-12-18(24)8-11-22(17)27-23(20)26-14-16-4-2-3-5-21(16)25/h2-13H,14H2,1H3,(H,26,27)
InChIKeyCTVROGWTSMKXID-UHFFFAOYSA-N
MW409.32 g/mol
LogP6.83
Rot. Bonds5

About 6-chloro-N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)quinolin-2-amine

6-chloro-N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)quinolin-2-amine (PubChem CID 166443079) has the molecular formula C23H18Cl2N2O and a molecular weight of 409.32 g/mol. Its IUPAC name is 6-chloro-N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)quinolin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)quinolin-2-amine
PubChem CID166443079
Molecular FormulaC23H18Cl2N2O
Molecular Weight409.32 g/mol
Exact Mass408.08
IUPAC Name6-chloro-N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)quinolin-2-amine
SMILESCOc1ccc(-c2cc3cc(Cl)ccc3nc2NCc2ccccc2Cl)cc1
InChIInChI=1S/C23H18Cl2N2O/c1-28-19-9-6-15(7-10-19)20-13-17-12-18(24)8-11-22(17)27-23(20)26-14-16-4-2-3-5-21(16)25/h2-13H,14H2,1H3,(H,26,27)
InChIKeyCTVROGWTSMKXID-UHFFFAOYSA-N
XLogP6.83
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.32
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-6-chloro-N-[(4-methoxyphenyl)methyl]quinolin-2-amine
CID 66800577
N-[(2-chlorophenyl)methyl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754551
N-[(2-chlorophenyl)methyl]-4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18827120
[5-[(2-chlorophenyl)methylamino]-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(2,4-dichlorophenyl)methanone
CID 4313754
6-chloro-N-[(2-chlorophenyl)methyl]quinazolin-4-amine
CID 46879729
4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dimethoxyphenyl)quinazoline-2,4-diamine
CID 71690729
N-[(2-chlorophenyl)methyl]-3-methoxyaniline
CID 23795463
3-[(2-chlorophenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one
CID 20941631
2-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile
CID 62090102
6-N-[(2-chlorophenyl)methyl]-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142949
6-chloro-2-(4-methoxyphenyl)-3-phenylquinoxaline
CID 118726434
2-chloro-N-[(2,5-dichlorophenyl)methyl]-5-methoxyaniline
CID 65315824

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)quinolin-2-amine?
The IUPAC name of 6-chloro-N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)quinolin-2-amine (CID 166443079) is 6-chloro-N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)quinolin-2-amine.
What is the SMILES notation for 6-chloro-N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)quinolin-2-amine?
The canonical SMILES for 6-chloro-N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)quinolin-2-amine is COc1ccc(-c2cc3cc(Cl)ccc3nc2NCc2ccccc2Cl)cc1.
What is the InChIKey of 6-chloro-N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)quinolin-2-amine?
The InChIKey is CTVROGWTSMKXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O/c1-28-19-9-6-15(7-10-19)20-13-17-12-18(24)8-11-22(17)27-23(20)26-14-16-4-2-3-5-21(16)25/h2-13H,14H2,1H3,(H,26,27).
What are the key properties of 6-chloro-N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)quinolin-2-amine?
6-chloro-N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)quinolin-2-amine has a molecular weight of 409.32 g/mol, XLogP of 6.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)quinolin-2-amine is sourced from PubChem (CID 166443079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).