4-N-(3-chloro-4-methoxyphenyl)quinoline-3,4-diamine

C16H14ClN3O — CID 103962773

IUPAC4-N-(3-chloro-4-methoxyphenyl)quinoline-3,4-diamine
SMILESCOc1ccc(Nc2c(N)cnc3ccccc23)cc1Cl
InChIInChI=1S/C16H14ClN3O/c1-21-15-7-6-10(8-12(15)17)20-16-11-4-2-3-5-14(11)19-9-13(16)18/h2-9H,18H2,1H3,(H,19,20)
InChIKeyKTACAEROGPEKTQ-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.22
Rot. Bonds3

About 4-N-(3-chloro-4-methoxyphenyl)quinoline-3,4-diamine

4-N-(3-chloro-4-methoxyphenyl)quinoline-3,4-diamine (PubChem CID 103962773) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 4-N-(3-chloro-4-methoxyphenyl)quinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-4-methoxyphenyl)quinoline-3,4-diamine
PubChem CID103962773
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name4-N-(3-chloro-4-methoxyphenyl)quinoline-3,4-diamine
SMILESCOc1ccc(Nc2c(N)cnc3ccccc23)cc1Cl
InChIInChI=1S/C16H14ClN3O/c1-21-15-7-6-10(8-12(15)17)20-16-11-4-2-3-5-14(11)19-9-13(16)18/h2-9H,18H2,1H3,(H,19,20)
InChIKeyKTACAEROGPEKTQ-UHFFFAOYSA-N
XLogP4.22
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3-chloro-4-methoxyphenyl)-3-methylbenzene-1,2-diamine
CID 113333668
4-N-[3-(dimethylamino)phenyl]quinoline-3,4-diamine
CID 103963515
4-N-(2-chloro-5-methylphenyl)quinoline-3,4-diamine
CID 107634067
4-N-(2-chloro-6-methylphenyl)quinoline-3,4-diamine
CID 103963431
4-N-(3-chloro-4-methoxyphenyl)-2-methoxybenzene-1,4-diamine
CID 55233537
4-N-(3-fluoro-5-methylphenyl)quinoline-3,4-diamine
CID 103963436
4-N-(2-chloro-4-iodophenyl)quinoline-3,4-diamine
CID 107606277
4-(3-chloro-4-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride
CID 146055597
2-(3-chloro-4-methoxyanilino)-3H-quinazolin-4-one
CID 135713751
2-N-(3-chloro-4-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine
CID 83004208
3-bromo-2-N-(3-chloro-4-methoxyphenyl)pyridine-2,5-diamine
CID 79531691
N-(3-chloro-4-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 15990164

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-methoxyphenyl)quinoline-3,4-diamine?
The IUPAC name of 4-N-(3-chloro-4-methoxyphenyl)quinoline-3,4-diamine (CID 103962773) is 4-N-(3-chloro-4-methoxyphenyl)quinoline-3,4-diamine.
What is the SMILES notation for 4-N-(3-chloro-4-methoxyphenyl)quinoline-3,4-diamine?
The canonical SMILES for 4-N-(3-chloro-4-methoxyphenyl)quinoline-3,4-diamine is COc1ccc(Nc2c(N)cnc3ccccc23)cc1Cl.
What is the InChIKey of 4-N-(3-chloro-4-methoxyphenyl)quinoline-3,4-diamine?
The InChIKey is KTACAEROGPEKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-21-15-7-6-10(8-12(15)17)20-16-11-4-2-3-5-14(11)19-9-13(16)18/h2-9H,18H2,1H3,(H,19,20).
What are the key properties of 4-N-(3-chloro-4-methoxyphenyl)quinoline-3,4-diamine?
4-N-(3-chloro-4-methoxyphenyl)quinoline-3,4-diamine has a molecular weight of 299.76 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-methoxyphenyl)quinoline-3,4-diamine is sourced from PubChem (CID 103962773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).