7-(2-methoxy-5-methylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid

C18H18N2O4 — CID 112532738

IUPAC7-(2-methoxy-5-methylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
SMILESCOc1ccc(C)cc1C(=O)N1CCc2c(cncc2C(=O)O)C1
InChIInChI=1S/C18H18N2O4/c1-11-3-4-16(24-2)14(7-11)17(21)20-6-5-13-12(10-20)8-19-9-15(13)18(22)23/h3-4,7-9H,5-6,10H2,1-2H3,(H,22,23)
InChIKeyGZCORKOPKPGPCK-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.30
Rot. Bonds3

About 7-(2-methoxy-5-methylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid

7-(2-methoxy-5-methylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid (PubChem CID 112532738) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 7-(2-methoxy-5-methylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid.

Molecular Properties

Compound Name7-(2-methoxy-5-methylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
PubChem CID112532738
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name7-(2-methoxy-5-methylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
SMILESCOc1ccc(C)cc1C(=O)N1CCc2c(cncc2C(=O)O)C1
InChIInChI=1S/C18H18N2O4/c1-11-3-4-16(24-2)14(7-11)17(21)20-6-5-13-12(10-20)8-19-9-15(13)18(22)23/h3-4,7-9H,5-6,10H2,1-2H3,(H,22,23)
InChIKeyGZCORKOPKPGPCK-UHFFFAOYSA-N
XLogP2.30
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(2,5-dimethylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 112532735
7-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 110476737
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 31363177
7-(2-methylpropanoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 110476748
7-(3-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 110476741
methyl 5-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112530449
methyl 7-[2-(4-methylphenyl)acetyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
CID 112535197
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 110814937
methyl 4-(2-methoxy-5-methylbenzoyl)piperazine-1-carboxylate
CID 110803244
methyl 7-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
CID 112535184
methyl 7-(2,3-dihydro-1H-indene-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
CID 112535228
(4-chlorophenyl)-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 110802853

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxy-5-methylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The IUPAC name of 7-(2-methoxy-5-methylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid (CID 112532738) is 7-(2-methoxy-5-methylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid.
What is the SMILES notation for 7-(2-methoxy-5-methylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The canonical SMILES for 7-(2-methoxy-5-methylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid is COc1ccc(C)cc1C(=O)N1CCc2c(cncc2C(=O)O)C1.
What is the InChIKey of 7-(2-methoxy-5-methylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The InChIKey is GZCORKOPKPGPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-11-3-4-16(24-2)14(7-11)17(21)20-6-5-13-12(10-20)8-19-9-15(13)18(22)23/h3-4,7-9H,5-6,10H2,1-2H3,(H,22,23).
What are the key properties of 7-(2-methoxy-5-methylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
7-(2-methoxy-5-methylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid has a molecular weight of 326.35 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxy-5-methylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid is sourced from PubChem (CID 112532738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).