8-N-(5-chloro-2-methoxyphenyl)quinoline-5,8-diamine

C16H14ClN3O — CID 43450176

IUPAC8-N-(5-chloro-2-methoxyphenyl)quinoline-5,8-diamine
SMILESCOc1ccc(Cl)cc1Nc1ccc(N)c2cccnc12
InChIInChI=1S/C16H14ClN3O/c1-21-15-7-4-10(17)9-14(15)20-13-6-5-12(18)11-3-2-8-19-16(11)13/h2-9,20H,18H2,1H3
InChIKeySAIHAJVTLJRZDI-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.22
Rot. Bonds3

About 8-N-(5-chloro-2-methoxyphenyl)quinoline-5,8-diamine

8-N-(5-chloro-2-methoxyphenyl)quinoline-5,8-diamine (PubChem CID 43450176) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 8-N-(5-chloro-2-methoxyphenyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-(5-chloro-2-methoxyphenyl)quinoline-5,8-diamine
PubChem CID43450176
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name8-N-(5-chloro-2-methoxyphenyl)quinoline-5,8-diamine
SMILESCOc1ccc(Cl)cc1Nc1ccc(N)c2cccnc12
InChIInChI=1S/C16H14ClN3O/c1-21-15-7-4-10(17)9-14(15)20-13-6-5-12(18)11-3-2-8-19-16(11)13/h2-9,20H,18H2,1H3
InChIKeySAIHAJVTLJRZDI-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

8-N-(2-methoxy-5-methylphenyl)quinoline-5,8-diamine
CID 43450177
8-N-(2-fluoro-5-methylphenyl)quinoline-5,8-diamine
CID 43450217
2-N-(5-chloroquinolin-8-yl)-4-methoxybenzene-1,2-diamine
CID 116783039
N-(5-chloro-2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 110435164
4-N-(5-chloro-2-methoxyphenyl)-6-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112866059
8-N-(2-chloro-4-iodophenyl)quinoline-5,8-diamine
CID 107606169
8-(4-chlorophenoxy)quinolin-5-amine
CID 43450277
8-N-(2,5-dimethylphenyl)quinoline-5,8-diamine
CID 43450182
8-[(2,4-dichlorophenyl)methoxy]quinolin-5-amine
CID 60864766
5-N-(3-fluoro-4-methoxyphenyl)quinoline-5,8-diamine
CID 43449573
5-N-(4-fluoro-3-methoxyphenyl)quinoline-5,8-diamine
CID 114837272
8-N-(3-bromo-5-methoxyphenyl)quinoline-5,8-diamine
CID 82859548

Frequently Asked Questions

What is the IUPAC name of 8-N-(5-chloro-2-methoxyphenyl)quinoline-5,8-diamine?
The IUPAC name of 8-N-(5-chloro-2-methoxyphenyl)quinoline-5,8-diamine (CID 43450176) is 8-N-(5-chloro-2-methoxyphenyl)quinoline-5,8-diamine.
What is the SMILES notation for 8-N-(5-chloro-2-methoxyphenyl)quinoline-5,8-diamine?
The canonical SMILES for 8-N-(5-chloro-2-methoxyphenyl)quinoline-5,8-diamine is COc1ccc(Cl)cc1Nc1ccc(N)c2cccnc12.
What is the InChIKey of 8-N-(5-chloro-2-methoxyphenyl)quinoline-5,8-diamine?
The InChIKey is SAIHAJVTLJRZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-21-15-7-4-10(17)9-14(15)20-13-6-5-12(18)11-3-2-8-19-16(11)13/h2-9,20H,18H2,1H3.
What are the key properties of 8-N-(5-chloro-2-methoxyphenyl)quinoline-5,8-diamine?
8-N-(5-chloro-2-methoxyphenyl)quinoline-5,8-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 8-N-(5-chloro-2-methoxyphenyl)quinoline-5,8-diamine is sourced from PubChem (CID 43450176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).