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

C16H13ClN2O3 — CID 110476737

IUPAC7-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
SMILESO=C(O)c1cncc2c1CCN(C(=O)c1ccc(Cl)cc1)C2
InChIInChI=1S/C16H13ClN2O3/c17-12-3-1-10(2-4-12)15(20)19-6-5-13-11(9-19)7-18-8-14(13)16(21)22/h1-4,7-8H,5-6,9H2,(H,21,22)
InChIKeyNHNNOQSIWJQBDT-UHFFFAOYSA-N
MW316.74 g/mol
LogP2.63
Rot. Bonds2

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

7-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid (PubChem CID 110476737) has the molecular formula C16H13ClN2O3 and a molecular weight of 316.74 g/mol. Its IUPAC name is 7-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid.

Molecular Properties

Compound Name7-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
PubChem CID110476737
Molecular FormulaC16H13ClN2O3
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC Name7-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
SMILESO=C(O)c1cncc2c1CCN(C(=O)c1ccc(Cl)cc1)C2
InChIInChI=1S/C16H13ClN2O3/c17-12-3-1-10(2-4-12)15(20)19-6-5-13-11(9-19)7-18-8-14(13)16(21)22/h1-4,7-8H,5-6,9H2,(H,21,22)
InChIKeyNHNNOQSIWJQBDT-UHFFFAOYSA-N
XLogP2.63
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 7-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
CID 112535184
7-(3-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 110476741
7-(2,5-dimethylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 112532735
7-[2-(3-chlorophenyl)acetyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 112532721
7-(2-methylpropanoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 110476748
7-acetyl-N-(4-chlorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112521021
methyl 7-[4-(dimethylamino)benzoyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
CID 112535220
7-(2-methoxy-5-methylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 112532738
7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 112532717
7-(2-pyridin-2-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 112532701
methyl 7-(2,3-dihydro-1H-indene-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
CID 112535228
methyl 5-[(2,4-dichlorophenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112523962

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The IUPAC name of 7-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid (CID 110476737) is 7-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid.
What is the SMILES notation for 7-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The canonical SMILES for 7-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid is O=C(O)c1cncc2c1CCN(C(=O)c1ccc(Cl)cc1)C2.
What is the InChIKey of 7-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The InChIKey is NHNNOQSIWJQBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3/c17-12-3-1-10(2-4-12)15(20)19-6-5-13-11(9-19)7-18-8-14(13)16(21)22/h1-4,7-8H,5-6,9H2,(H,21,22).
What are the key properties of 7-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
7-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid has a molecular weight of 316.74 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid is sourced from PubChem (CID 110476737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).