4-(8-oxo-7H-1,7-naphthyridin-6-yl)naphthalene-1-carboxylic acid

C19H12N2O3 — CID 174524461

IUPAC4-(8-oxo-7H-1,7-naphthyridin-6-yl)naphthalene-1-carboxylic acid
SMILESO=C(O)c1ccc(-c2cc3cccnc3c(=O)[nH]2)c2ccccc12
InChIInChI=1S/C19H12N2O3/c22-18-17-11(4-3-9-20-17)10-16(21-18)14-7-8-15(19(23)24)13-6-2-1-5-12(13)14/h1-10H,(H,21,22)(H,23,24)
InChIKeyDHLNQQITLGGNJR-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.44
Rot. Bonds2

About 4-(8-oxo-7H-1,7-naphthyridin-6-yl)naphthalene-1-carboxylic acid

4-(8-oxo-7H-1,7-naphthyridin-6-yl)naphthalene-1-carboxylic acid (PubChem CID 174524461) has the molecular formula C19H12N2O3 and a molecular weight of 316.32 g/mol. Its IUPAC name is 4-(8-oxo-7H-1,7-naphthyridin-6-yl)naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name4-(8-oxo-7H-1,7-naphthyridin-6-yl)naphthalene-1-carboxylic acid
PubChem CID174524461
Molecular FormulaC19H12N2O3
Molecular Weight316.32 g/mol
Exact Mass316.08
IUPAC Name4-(8-oxo-7H-1,7-naphthyridin-6-yl)naphthalene-1-carboxylic acid
SMILESO=C(O)c1ccc(-c2cc3cccnc3c(=O)[nH]2)c2ccccc12
InChIInChI=1S/C19H12N2O3/c22-18-17-11(4-3-9-20-17)10-16(21-18)14-7-8-15(19(23)24)13-6-2-1-5-12(13)14/h1-10H,(H,21,22)(H,23,24)
InChIKeyDHLNQQITLGGNJR-UHFFFAOYSA-N
XLogP3.44
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(8-oxo-7H-1,7-naphthyridin-6-yl)naphthalene-1-carboxylic acid?
The IUPAC name of 4-(8-oxo-7H-1,7-naphthyridin-6-yl)naphthalene-1-carboxylic acid (CID 174524461) is 4-(8-oxo-7H-1,7-naphthyridin-6-yl)naphthalene-1-carboxylic acid.
What is the SMILES notation for 4-(8-oxo-7H-1,7-naphthyridin-6-yl)naphthalene-1-carboxylic acid?
The canonical SMILES for 4-(8-oxo-7H-1,7-naphthyridin-6-yl)naphthalene-1-carboxylic acid is O=C(O)c1ccc(-c2cc3cccnc3c(=O)[nH]2)c2ccccc12.
What is the InChIKey of 4-(8-oxo-7H-1,7-naphthyridin-6-yl)naphthalene-1-carboxylic acid?
The InChIKey is DHLNQQITLGGNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O3/c22-18-17-11(4-3-9-20-17)10-16(21-18)14-7-8-15(19(23)24)13-6-2-1-5-12(13)14/h1-10H,(H,21,22)(H,23,24).
What are the key properties of 4-(8-oxo-7H-1,7-naphthyridin-6-yl)naphthalene-1-carboxylic acid?
4-(8-oxo-7H-1,7-naphthyridin-6-yl)naphthalene-1-carboxylic acid has a molecular weight of 316.32 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-oxo-7H-1,7-naphthyridin-6-yl)naphthalene-1-carboxylic acid is sourced from PubChem (CID 174524461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).