7-chloro-N-[(4-methoxyphenyl)methylideneamino]quinolin-4-amine

C17H14ClN3O — CID 4008612

IUPAC7-chloro-N-[(4-methoxyphenyl)methylideneamino]quinolin-4-amine
SMILESCOc1ccc(C=NNc2ccnc3cc(Cl)ccc23)cc1
InChIInChI=1S/C17H14ClN3O/c1-22-14-5-2-12(3-6-14)11-20-21-16-8-9-19-17-10-13(18)4-7-15(16)17/h2-11H,1H3,(H,19,21)
InChIKeyUPRMZZHVZXIXIG-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.34
Rot. Bonds4

About 7-chloro-N-[(4-methoxyphenyl)methylideneamino]quinolin-4-amine

7-chloro-N-[(4-methoxyphenyl)methylideneamino]quinolin-4-amine (PubChem CID 4008612) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 7-chloro-N-[(4-methoxyphenyl)methylideneamino]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[(4-methoxyphenyl)methylideneamino]quinolin-4-amine
PubChem CID4008612
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name7-chloro-N-[(4-methoxyphenyl)methylideneamino]quinolin-4-amine
SMILESCOc1ccc(C=NNc2ccnc3cc(Cl)ccc23)cc1
InChIInChI=1S/C17H14ClN3O/c1-22-14-5-2-12(3-6-14)11-20-21-16-8-9-19-17-10-13(18)4-7-15(16)17/h2-11H,1H3,(H,19,21)
InChIKeyUPRMZZHVZXIXIG-UHFFFAOYSA-N
XLogP4.34
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(4-methoxyphenyl)methylideneamino]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[(4-methoxyphenyl)methylideneamino]quinolin-4-amine (CID 4008612) is 7-chloro-N-[(4-methoxyphenyl)methylideneamino]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[(4-methoxyphenyl)methylideneamino]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[(4-methoxyphenyl)methylideneamino]quinolin-4-amine is COc1ccc(C=NNc2ccnc3cc(Cl)ccc23)cc1.
What is the InChIKey of 7-chloro-N-[(4-methoxyphenyl)methylideneamino]quinolin-4-amine?
The InChIKey is UPRMZZHVZXIXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c1-22-14-5-2-12(3-6-14)11-20-21-16-8-9-19-17-10-13(18)4-7-15(16)17/h2-11H,1H3,(H,19,21).
What are the key properties of 7-chloro-N-[(4-methoxyphenyl)methylideneamino]quinolin-4-amine?
7-chloro-N-[(4-methoxyphenyl)methylideneamino]quinolin-4-amine has a molecular weight of 311.77 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(4-methoxyphenyl)methylideneamino]quinolin-4-amine is sourced from PubChem (CID 4008612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).