2-chloro-7-methoxy-4-(4-methoxyphenyl)quinoline

C17H14ClNO2 — CID 139231038

IUPAC2-chloro-7-methoxy-4-(4-methoxyphenyl)quinoline
SMILESCOc1ccc(-c2cc(Cl)nc3cc(OC)ccc23)cc1
InChIInChI=1S/C17H14ClNO2/c1-20-12-5-3-11(4-6-12)15-10-17(18)19-16-9-13(21-2)7-8-14(15)16/h3-10H,1-2H3
InChIKeyVOFMLTIXCPBLSN-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.57
Rot. Bonds3

About 2-chloro-7-methoxy-4-(4-methoxyphenyl)quinoline

2-chloro-7-methoxy-4-(4-methoxyphenyl)quinoline (PubChem CID 139231038) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-chloro-7-methoxy-4-(4-methoxyphenyl)quinoline.

Molecular Properties

Compound Name2-chloro-7-methoxy-4-(4-methoxyphenyl)quinoline
PubChem CID139231038
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name2-chloro-7-methoxy-4-(4-methoxyphenyl)quinoline
SMILESCOc1ccc(-c2cc(Cl)nc3cc(OC)ccc23)cc1
InChIInChI=1S/C17H14ClNO2/c1-20-12-5-3-11(4-6-12)15-10-17(18)19-16-9-13(21-2)7-8-14(15)16/h3-10H,1-2H3
InChIKeyVOFMLTIXCPBLSN-UHFFFAOYSA-N
XLogP4.57
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(4-chlorophenyl)-6-methoxy-2-(4-methoxyphenyl)quinoline
CID 11100859
2-chloro-4-(4-fluorophenyl)-7-iodoquinoline
CID 87264840
6-chloro-2-(4-chlorophenyl)-4-(4-methoxyphenyl)quinoline
CID 12026464
4-(4-methoxyphenyl)-2-phenylquinoline
CID 12523263
4-chloro-7-methoxy-2-(4-propan-2-yloxyphenyl)quinoline
CID 70978267
6-methoxy-2-methyl-4-(4-methylphenyl)quinoline
CID 101221850
4-chloro-7-methoxy-2-propan-2-ylquinazoline
CID 106584178
6-chloro-3-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridine
CID 170855643
4-(4-chlorophenyl)-6-methoxy-2-(trifluoromethyl)quinoline
CID 135018951
7-methoxy-2-(4-methoxyphenyl)-3H-quinazolin-4-one
CID 136593380
6-methoxy-4-(4-methoxyphenyl)-2-(trifluoromethyl)quinoline
CID 135018947
3-chloro-2,5,6-tris(4-methoxyphenyl)pyridine
CID 122233245

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-methoxy-4-(4-methoxyphenyl)quinoline?
The IUPAC name of 2-chloro-7-methoxy-4-(4-methoxyphenyl)quinoline (CID 139231038) is 2-chloro-7-methoxy-4-(4-methoxyphenyl)quinoline.
What is the SMILES notation for 2-chloro-7-methoxy-4-(4-methoxyphenyl)quinoline?
The canonical SMILES for 2-chloro-7-methoxy-4-(4-methoxyphenyl)quinoline is COc1ccc(-c2cc(Cl)nc3cc(OC)ccc23)cc1.
What is the InChIKey of 2-chloro-7-methoxy-4-(4-methoxyphenyl)quinoline?
The InChIKey is VOFMLTIXCPBLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c1-20-12-5-3-11(4-6-12)15-10-17(18)19-16-9-13(21-2)7-8-14(15)16/h3-10H,1-2H3.
What are the key properties of 2-chloro-7-methoxy-4-(4-methoxyphenyl)quinoline?
2-chloro-7-methoxy-4-(4-methoxyphenyl)quinoline has a molecular weight of 299.76 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-methoxy-4-(4-methoxyphenyl)quinoline is sourced from PubChem (CID 139231038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).