8-(naphthalene-2-carbonylamino)-4-oxochromene-2-carboxylic acid

C21H13NO5 — CID 71734946

IUPAC8-(naphthalene-2-carbonylamino)-4-oxochromene-2-carboxylic acid
SMILESO=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccc2ccccc2c1
InChIInChI=1S/C21H13NO5/c23-17-11-18(21(25)26)27-19-15(17)6-3-7-16(19)22-20(24)14-9-8-12-4-1-2-5-13(12)10-14/h1-11H,(H,22,24)(H,25,26)
InChIKeyDQPJQHLZZHUOLW-UHFFFAOYSA-N
MW359.34 g/mol
LogP3.90
Rot. Bonds3

About 8-(naphthalene-2-carbonylamino)-4-oxochromene-2-carboxylic acid

8-(naphthalene-2-carbonylamino)-4-oxochromene-2-carboxylic acid (PubChem CID 71734946) has the molecular formula C21H13NO5 and a molecular weight of 359.34 g/mol. Its IUPAC name is 8-(naphthalene-2-carbonylamino)-4-oxochromene-2-carboxylic acid.

Molecular Properties

Compound Name8-(naphthalene-2-carbonylamino)-4-oxochromene-2-carboxylic acid
PubChem CID71734946
Molecular FormulaC21H13NO5
Molecular Weight359.34 g/mol
Exact Mass359.08
IUPAC Name8-(naphthalene-2-carbonylamino)-4-oxochromene-2-carboxylic acid
SMILESO=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccc2ccccc2c1
InChIInChI=1S/C21H13NO5/c23-17-11-18(21(25)26)27-19-15(17)6-3-7-16(19)22-20(24)14-9-8-12-4-1-2-5-13(12)10-14/h1-11H,(H,22,24)(H,25,26)
InChIKeyDQPJQHLZZHUOLW-UHFFFAOYSA-N
XLogP3.90
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-[(4-bromobenzoyl)amino]-4-oxochromene-2-carboxylic acid
CID 71733647
8-[(4-methoxybenzoyl)amino]-4-oxo-6-phenylchromene-2-carboxylic acid
CID 142544343
methyl 4-oxo-8-[[4-(4-phenylbutoxy)benzoyl]amino]chromene-2-carboxylate
CID 10116174
N-(2-methylphenyl)naphthalene-2-carboxamide
CID 790563
ethyl 4-oxo-8-[[2-(phenylmethoxymethyl)-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylate
CID 19606364
4-[[[2-(naphthalene-2-carbonylamino)benzoyl]amino]methyl]benzoic acid
CID 90656007
8-(diethoxyphosphorylamino)-4-oxochromene-2-carboxylic acid
CID 10246671
N-(2-acetamidophenyl)naphthalene-2-carboxamide
CID 787693
tert-butyl 4-oxo-8-[[4-(4-phenylbutoxy)benzoyl]amino]chromene-2-carboxylate
CID 139926708
8-[(4-heptoxybenzoyl)amino]-N-hydroxy-4-oxochromene-2-carboxamide
CID 139926820
methyl 8-[(4-hexoxybenzoyl)amino]-4-oxochromene-2-carboxylate
CID 139926774
N-hydroxy-8-[(4-nonoxybenzoyl)amino]-4-oxochromene-2-carboxamide
CID 139926830

Frequently Asked Questions

What is the IUPAC name of 8-(naphthalene-2-carbonylamino)-4-oxochromene-2-carboxylic acid?
The IUPAC name of 8-(naphthalene-2-carbonylamino)-4-oxochromene-2-carboxylic acid (CID 71734946) is 8-(naphthalene-2-carbonylamino)-4-oxochromene-2-carboxylic acid.
What is the SMILES notation for 8-(naphthalene-2-carbonylamino)-4-oxochromene-2-carboxylic acid?
The canonical SMILES for 8-(naphthalene-2-carbonylamino)-4-oxochromene-2-carboxylic acid is O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccc2ccccc2c1.
What is the InChIKey of 8-(naphthalene-2-carbonylamino)-4-oxochromene-2-carboxylic acid?
The InChIKey is DQPJQHLZZHUOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13NO5/c23-17-11-18(21(25)26)27-19-15(17)6-3-7-16(19)22-20(24)14-9-8-12-4-1-2-5-13(12)10-14/h1-11H,(H,22,24)(H,25,26).
What are the key properties of 8-(naphthalene-2-carbonylamino)-4-oxochromene-2-carboxylic acid?
8-(naphthalene-2-carbonylamino)-4-oxochromene-2-carboxylic acid has a molecular weight of 359.34 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(naphthalene-2-carbonylamino)-4-oxochromene-2-carboxylic acid is sourced from PubChem (CID 71734946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).