N-(4-chloro-2-methylphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine

C18H15ClN4 — CID 135819022

IUPACN-(4-chloro-2-methylphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine
SMILESCc1cc(Nc2ccc(Cl)cc2C)c2c(ccc3ncnc32)[nH]1
InChIInChI=1S/C18H15ClN4/c1-10-7-12(19)3-4-13(10)23-16-8-11(2)22-14-5-6-15-18(17(14)16)21-9-20-15/h3-9,22-23H,1-2H3
InChIKeyVRRLXPXUBIUBJD-UHFFFAOYSA-N
MW322.80 g/mol
LogP5.12
Rot. Bonds2

About N-(4-chloro-2-methylphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine

N-(4-chloro-2-methylphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine (PubChem CID 135819022) has the molecular formula C18H15ClN4 and a molecular weight of 322.80 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine
PubChem CID135819022
Molecular FormulaC18H15ClN4
Molecular Weight322.80 g/mol
Exact Mass322.10
IUPAC NameN-(4-chloro-2-methylphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine
SMILESCc1cc(Nc2ccc(Cl)cc2C)c2c(ccc3ncnc32)[nH]1
InChIInChI=1S/C18H15ClN4/c1-10-7-12(19)3-4-13(10)23-16-8-11(2)22-14-5-6-15-18(17(14)16)21-9-20-15/h3-9,22-23H,1-2H3
InChIKeyVRRLXPXUBIUBJD-UHFFFAOYSA-N
XLogP5.12
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.80
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine
CID 135819020
N-(3,4-dichlorophenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine;hydrochloride
CID 135819017
bis(N-(3-chloro-4-pyrrolidin-1-ylphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine);hydrate;dihydrochloride
CID 173461192
3-N-(7-methyl-6H-imidazo[4,5-f]quinolin-9-yl)-1-N-(6-piperidin-1-yl-3-pyridinyl)benzene-1,3-diamine
CID 136502435
4-N-(4-chloro-2-methylphenyl)-6-N-(3,4-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22546140
N-(4-chloro-2-methylphenyl)pyrazin-2-amine
CID 118286926
N-(4-chloro-2-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110875091
N-(4-chloro-2-methylphenyl)-4-methoxy-2-methylaniline
CID 139611066
2-N-(4-chloro-2-methylphenyl)pyrimidine-2,5-diamine
CID 82290977
N-(4-chloro-2-methylphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide
CID 110429967
2-N,4-N-bis(4-chloro-2-methylphenyl)pteridine-2,4-diamine
CID 16911093
N-(4-chloro-2-methylphenyl)-2,6-dimethylaniline
CID 57056849

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine?
The IUPAC name of N-(4-chloro-2-methylphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine (CID 135819022) is N-(4-chloro-2-methylphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine is Cc1cc(Nc2ccc(Cl)cc2C)c2c(ccc3ncnc32)[nH]1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine?
The InChIKey is VRRLXPXUBIUBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4/c1-10-7-12(19)3-4-13(10)23-16-8-11(2)22-14-5-6-15-18(17(14)16)21-9-20-15/h3-9,22-23H,1-2H3.
What are the key properties of N-(4-chloro-2-methylphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine?
N-(4-chloro-2-methylphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine has a molecular weight of 322.80 g/mol, XLogP of 5.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine is sourced from PubChem (CID 135819022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).