2-(2-methoxynaphthalen-1-yl)-6-methylquinoline-4-carboxylic acid

C22H17NO3 — CID 7139738

IUPAC2-(2-methoxynaphthalen-1-yl)-6-methylquinoline-4-carboxylic acid
SMILESCOc1ccc2ccccc2c1-c1cc(C(=O)O)c2cc(C)ccc2n1
InChIInChI=1S/C22H17NO3/c1-13-7-9-18-16(11-13)17(22(24)25)12-19(23-18)21-15-6-4-3-5-14(15)8-10-20(21)26-2/h3-12H,1-2H3,(H,24,25)
InChIKeyRSCPIZCDYYQVMQ-UHFFFAOYSA-N
MW343.38 g/mol
LogP5.07
Rot. Bonds3

About 2-(2-methoxynaphthalen-1-yl)-6-methylquinoline-4-carboxylic acid

2-(2-methoxynaphthalen-1-yl)-6-methylquinoline-4-carboxylic acid (PubChem CID 7139738) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-(2-methoxynaphthalen-1-yl)-6-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxynaphthalen-1-yl)-6-methylquinoline-4-carboxylic acid
PubChem CID7139738
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC Name2-(2-methoxynaphthalen-1-yl)-6-methylquinoline-4-carboxylic acid
SMILESCOc1ccc2ccccc2c1-c1cc(C(=O)O)c2cc(C)ccc2n1
InChIInChI=1S/C22H17NO3/c1-13-7-9-18-16(11-13)17(22(24)25)12-19(23-18)21-15-6-4-3-5-14(15)8-10-20(21)26-2/h3-12H,1-2H3,(H,24,25)
InChIKeyRSCPIZCDYYQVMQ-UHFFFAOYSA-N
XLogP5.07
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.38
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-butoxynaphthalen-1-yl)-6-methylquinoline-4-carboxylic acid
CID 7139746
2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 841838
2-(3-fluoro-4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 3492969
2-(2-methoxynaphthalen-1-yl)-8-methylquinoline-4-carboxylate
CID 7139665
3-[2-(2-methoxynaphthalen-1-yl)quinolin-6-yl]propanoic acid
CID 154454380
2-(2-carboxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 15376151
2-(2-methoxynaphthalen-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 4980416
2-(2-methoxynaphthalen-1-yl)pyridine
CID 71446434
6,7-dimethoxy-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 18073657
2-(3,4-dimethoxyphenyl)-6-methylquinoline-4-carboxylate
CID 4745196
(2-methoxy-5-methylphenyl)methyl 2-phenylquinoline-4-carboxylate
CID 7603582
3-[4-[(1R)-1-carboxyethoxy]-3-methoxyphenyl]benzo[f]quinoline-1-carboxylic acid
CID 7261584

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxynaphthalen-1-yl)-6-methylquinoline-4-carboxylic acid?
The IUPAC name of 2-(2-methoxynaphthalen-1-yl)-6-methylquinoline-4-carboxylic acid (CID 7139738) is 2-(2-methoxynaphthalen-1-yl)-6-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(2-methoxynaphthalen-1-yl)-6-methylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(2-methoxynaphthalen-1-yl)-6-methylquinoline-4-carboxylic acid is COc1ccc2ccccc2c1-c1cc(C(=O)O)c2cc(C)ccc2n1.
What is the InChIKey of 2-(2-methoxynaphthalen-1-yl)-6-methylquinoline-4-carboxylic acid?
The InChIKey is RSCPIZCDYYQVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3/c1-13-7-9-18-16(11-13)17(22(24)25)12-19(23-18)21-15-6-4-3-5-14(15)8-10-20(21)26-2/h3-12H,1-2H3,(H,24,25).
What are the key properties of 2-(2-methoxynaphthalen-1-yl)-6-methylquinoline-4-carboxylic acid?
2-(2-methoxynaphthalen-1-yl)-6-methylquinoline-4-carboxylic acid has a molecular weight of 343.38 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxynaphthalen-1-yl)-6-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 7139738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).