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

C18H18N2O3 — CID 112532735

IUPAC7-(2,5-dimethylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
SMILESCc1ccc(C)c(C(=O)N2CCc3c(cncc3C(=O)O)C2)c1
InChIInChI=1S/C18H18N2O3/c1-11-3-4-12(2)15(7-11)17(21)20-6-5-14-13(10-20)8-19-9-16(14)18(22)23/h3-4,7-9H,5-6,10H2,1-2H3,(H,22,23)
InChIKeyDLCFYPCBMXMNSR-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.60
Rot. Bonds2

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

7-(2,5-dimethylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid (PubChem CID 112532735) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 7-(2,5-dimethylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid.

Molecular Properties

Compound Name7-(2,5-dimethylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
PubChem CID112532735
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name7-(2,5-dimethylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
SMILESCc1ccc(C)c(C(=O)N2CCc3c(cncc3C(=O)O)C2)c1
InChIInChI=1S/C18H18N2O3/c1-11-3-4-12(2)15(7-11)17(21)20-6-5-14-13(10-20)8-19-9-16(14)18(22)23/h3-4,7-9H,5-6,10H2,1-2H3,(H,22,23)
InChIKeyDLCFYPCBMXMNSR-UHFFFAOYSA-N
XLogP2.60
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(2-methoxy-5-methylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 112532738
7-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 110476737
7-(3-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 110476741
5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(2,5-dimethylphenyl)methanone
CID 90585336
7-acetyl-N-(4-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112521061
3-[2-(2,5-dimethylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanoic acid
CID 142408143
[4-(2,5-dimethylbenzoyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110808553
methyl 5-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112530449
7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 112532717
methyl 7-[2-(4-methylphenyl)acetyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
CID 112535197
7-[2-(3-chlorophenyl)acetyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 112532721
2-N,2-N-dimethyl-5-N-(3-methylphenyl)-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112521146

Frequently Asked Questions

What is the IUPAC name of 7-(2,5-dimethylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The IUPAC name of 7-(2,5-dimethylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid (CID 112532735) is 7-(2,5-dimethylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid.
What is the SMILES notation for 7-(2,5-dimethylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The canonical SMILES for 7-(2,5-dimethylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid is Cc1ccc(C)c(C(=O)N2CCc3c(cncc3C(=O)O)C2)c1.
What is the InChIKey of 7-(2,5-dimethylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The InChIKey is DLCFYPCBMXMNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-11-3-4-12(2)15(7-11)17(21)20-6-5-14-13(10-20)8-19-9-16(14)18(22)23/h3-4,7-9H,5-6,10H2,1-2H3,(H,22,23).
What are the key properties of 7-(2,5-dimethylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
7-(2,5-dimethylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid has a molecular weight of 310.35 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5-dimethylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid is sourced from PubChem (CID 112532735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).