4-chloro-6-methoxy-N-(pyridin-2-ylmethyl)quinolin-7-amine

C16H14ClN3O — CID 162398398

IUPAC4-chloro-6-methoxy-N-(pyridin-2-ylmethyl)quinolin-7-amine
SMILESCOc1cc2c(Cl)ccnc2cc1NCc1ccccn1
InChIInChI=1S/C16H14ClN3O/c1-21-16-8-12-13(17)5-7-19-14(12)9-15(16)20-10-11-4-2-3-6-18-11/h2-9,20H,10H2,1H3
InChIKeyMCJGMLXIELRBBE-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.90
Rot. Bonds4

About 4-chloro-6-methoxy-N-(pyridin-2-ylmethyl)quinolin-7-amine

4-chloro-6-methoxy-N-(pyridin-2-ylmethyl)quinolin-7-amine (PubChem CID 162398398) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 4-chloro-6-methoxy-N-(pyridin-2-ylmethyl)quinolin-7-amine.

Molecular Properties

Compound Name4-chloro-6-methoxy-N-(pyridin-2-ylmethyl)quinolin-7-amine
PubChem CID162398398
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name4-chloro-6-methoxy-N-(pyridin-2-ylmethyl)quinolin-7-amine
SMILESCOc1cc2c(Cl)ccnc2cc1NCc1ccccn1
InChIInChI=1S/C16H14ClN3O/c1-21-16-8-12-13(17)5-7-19-14(12)9-15(16)20-10-11-4-2-3-6-18-11/h2-9,20H,10H2,1H3
InChIKeyMCJGMLXIELRBBE-UHFFFAOYSA-N
XLogP3.90
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-N-(pyridin-2-ylmethyl)quinolin-7-amine?
The IUPAC name of 4-chloro-6-methoxy-N-(pyridin-2-ylmethyl)quinolin-7-amine (CID 162398398) is 4-chloro-6-methoxy-N-(pyridin-2-ylmethyl)quinolin-7-amine.
What is the SMILES notation for 4-chloro-6-methoxy-N-(pyridin-2-ylmethyl)quinolin-7-amine?
The canonical SMILES for 4-chloro-6-methoxy-N-(pyridin-2-ylmethyl)quinolin-7-amine is COc1cc2c(Cl)ccnc2cc1NCc1ccccn1.
What is the InChIKey of 4-chloro-6-methoxy-N-(pyridin-2-ylmethyl)quinolin-7-amine?
The InChIKey is MCJGMLXIELRBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-21-16-8-12-13(17)5-7-19-14(12)9-15(16)20-10-11-4-2-3-6-18-11/h2-9,20H,10H2,1H3.
What are the key properties of 4-chloro-6-methoxy-N-(pyridin-2-ylmethyl)quinolin-7-amine?
4-chloro-6-methoxy-N-(pyridin-2-ylmethyl)quinolin-7-amine has a molecular weight of 299.76 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-N-(pyridin-2-ylmethyl)quinolin-7-amine is sourced from PubChem (CID 162398398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).