2-(3,4-dimethoxyphenyl)-6-methylquinoline-4-carboxylate

C19H16NO4- — CID 4745196

IUPAC2-(3,4-dimethoxyphenyl)-6-methylquinoline-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)[O-])c3cc(C)ccc3n2)cc1OC
InChIInChI=1S/C19H17NO4/c1-11-4-6-15-13(8-11)14(19(21)22)10-16(20-15)12-5-7-17(23-2)18(9-12)24-3/h4-10H,1-3H3,(H,21,22)/p-1
InChIKeyYOMZOJBFPXHVHU-UHFFFAOYSA-M
MW322.34 g/mol
LogP2.59
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-6-methylquinoline-4-carboxylate

2-(3,4-dimethoxyphenyl)-6-methylquinoline-4-carboxylate (PubChem CID 4745196) has the molecular formula C19H16NO4- and a molecular weight of 322.34 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-6-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-6-methylquinoline-4-carboxylate
PubChem CID4745196
Molecular FormulaC19H16NO4-
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Name2-(3,4-dimethoxyphenyl)-6-methylquinoline-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)[O-])c3cc(C)ccc3n2)cc1OC
InChIInChI=1S/C19H17NO4/c1-11-4-6-15-13(8-11)14(19(21)22)10-16(20-15)12-5-7-17(23-2)18(9-12)24-3/h4-10H,1-3H3,(H,21,22)/p-1
InChIKeyYOMZOJBFPXHVHU-UHFFFAOYSA-M
XLogP2.59
TPSA71.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-methoxy-4-(2-phenylethoxy)phenyl]-6-methylquinoline-4-carboxylate
CID 7139751
2-[3-methoxy-4-(3-phenylpropoxy)phenyl]-6-methylquinoline-4-carboxylate
CID 7139755
2-(3-methoxyphenyl)-6-methylquinoline-4-carboxylate
CID 4744706
2-(3-fluoro-4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 3492969
6,7-dimethoxy-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 18073657
6-butan-2-yl-2-(3,4-dimethoxyphenyl)quinoline-4-carboxylic acid
CID 3384731
[2-(3,4-dimethoxyphenyl)quinolin-4-yl] hydrogen carbonate
CID 70367689
2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 841838
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-6-methylquinoline-4-carboxamide
CID 3276251
2-[4-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]-6-methylquinoline-4-carboxylate
CID 7280598
2-(3,4-dimethoxyphenyl)-N-(4-methyl-2-nitrophenyl)quinoline-4-carboxamide
CID 2930791
6-chloro-2-(3-chloro-4-methoxyphenyl)quinoline-4-carboxylic acid
CID 3321960

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-6-methylquinoline-4-carboxylate?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-6-methylquinoline-4-carboxylate (CID 4745196) is 2-(3,4-dimethoxyphenyl)-6-methylquinoline-4-carboxylate.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-6-methylquinoline-4-carboxylate?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-6-methylquinoline-4-carboxylate is COc1ccc(-c2cc(C(=O)[O-])c3cc(C)ccc3n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-6-methylquinoline-4-carboxylate?
The InChIKey is YOMZOJBFPXHVHU-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H17NO4/c1-11-4-6-15-13(8-11)14(19(21)22)10-16(20-15)12-5-7-17(23-2)18(9-12)24-3/h4-10H,1-3H3,(H,21,22)/p-1.
What are the key properties of 2-(3,4-dimethoxyphenyl)-6-methylquinoline-4-carboxylate?
2-(3,4-dimethoxyphenyl)-6-methylquinoline-4-carboxylate has a molecular weight of 322.34 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-6-methylquinoline-4-carboxylate is sourced from PubChem (CID 4745196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).