8-[(4-methoxybenzoyl)amino]-4-oxo-6-phenylchromene-2-carboxylic acid

C24H17NO6 — CID 142544343

IUPAC8-[(4-methoxybenzoyl)amino]-4-oxo-6-phenylchromene-2-carboxylic acid
SMILESCOc1ccc(C(=O)Nc2cc(-c3ccccc3)cc3c(=O)cc(C(=O)O)oc23)cc1
InChIInChI=1S/C24H17NO6/c1-30-17-9-7-15(8-10-17)23(27)25-19-12-16(14-5-3-2-4-6-14)11-18-20(26)13-21(24(28)29)31-22(18)19/h2-13H,1H3,(H,25,27)(H,28,29)
InChIKeyCKWYFKUOMMOZEE-UHFFFAOYSA-N
MW415.40 g/mol
LogP4.42
Rot. Bonds5

About 8-[(4-methoxybenzoyl)amino]-4-oxo-6-phenylchromene-2-carboxylic acid

8-[(4-methoxybenzoyl)amino]-4-oxo-6-phenylchromene-2-carboxylic acid (PubChem CID 142544343) has the molecular formula C24H17NO6 and a molecular weight of 415.40 g/mol. Its IUPAC name is 8-[(4-methoxybenzoyl)amino]-4-oxo-6-phenylchromene-2-carboxylic acid.

Molecular Properties

Compound Name8-[(4-methoxybenzoyl)amino]-4-oxo-6-phenylchromene-2-carboxylic acid
PubChem CID142544343
Molecular FormulaC24H17NO6
Molecular Weight415.40 g/mol
Exact Mass415.11
IUPAC Name8-[(4-methoxybenzoyl)amino]-4-oxo-6-phenylchromene-2-carboxylic acid
SMILESCOc1ccc(C(=O)Nc2cc(-c3ccccc3)cc3c(=O)cc(C(=O)O)oc23)cc1
InChIInChI=1S/C24H17NO6/c1-30-17-9-7-15(8-10-17)23(27)25-19-12-16(14-5-3-2-4-6-14)11-18-20(26)13-21(24(28)29)31-22(18)19/h2-13H,1H3,(H,25,27)(H,28,29)
InChIKeyCKWYFKUOMMOZEE-UHFFFAOYSA-N
XLogP4.42
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 8-[(4-methoxybenzoyl)amino]-4-oxo-6-[3-(trifluoromethoxy)phenyl]chromene-2-carboxylate
CID 150470641
8-(naphthalene-2-carbonylamino)-4-oxochromene-2-carboxylic acid
CID 71734946
N-(2-amino-5-phenylphenyl)-4-methoxybenzamide;N-methylmethanamine
CID 66894745
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380
N-(2,5-dimethoxyphenyl)-4-phenylbenzamide
CID 667706
methyl 4-oxo-8-[[4-(4-phenylbutoxy)benzoyl]amino]chromene-2-carboxylate
CID 10116174
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
methyl 8-[(4-hexoxybenzoyl)amino]-4-oxochromene-2-carboxylate
CID 139926774
4-methoxy-N-[2-[[2-[(4-methoxybenzoyl)amino]phenyl]ditellanyl]phenyl]benzamide
CID 135052422
ethyl 5-[(4-methoxybenzoyl)amino]-6-oxo-2-phenylpyran-3-carboxylate
CID 1473621
2-[2-[(4-methoxybenzoyl)amino]phenyl]acetic acid
CID 62535136
tert-butyl 4-oxo-8-[[4-(4-phenylbutoxy)benzoyl]amino]chromene-2-carboxylate
CID 139926708

Frequently Asked Questions

What is the IUPAC name of 8-[(4-methoxybenzoyl)amino]-4-oxo-6-phenylchromene-2-carboxylic acid?
The IUPAC name of 8-[(4-methoxybenzoyl)amino]-4-oxo-6-phenylchromene-2-carboxylic acid (CID 142544343) is 8-[(4-methoxybenzoyl)amino]-4-oxo-6-phenylchromene-2-carboxylic acid.
What is the SMILES notation for 8-[(4-methoxybenzoyl)amino]-4-oxo-6-phenylchromene-2-carboxylic acid?
The canonical SMILES for 8-[(4-methoxybenzoyl)amino]-4-oxo-6-phenylchromene-2-carboxylic acid is COc1ccc(C(=O)Nc2cc(-c3ccccc3)cc3c(=O)cc(C(=O)O)oc23)cc1.
What is the InChIKey of 8-[(4-methoxybenzoyl)amino]-4-oxo-6-phenylchromene-2-carboxylic acid?
The InChIKey is CKWYFKUOMMOZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO6/c1-30-17-9-7-15(8-10-17)23(27)25-19-12-16(14-5-3-2-4-6-14)11-18-20(26)13-21(24(28)29)31-22(18)19/h2-13H,1H3,(H,25,27)(H,28,29).
What are the key properties of 8-[(4-methoxybenzoyl)amino]-4-oxo-6-phenylchromene-2-carboxylic acid?
8-[(4-methoxybenzoyl)amino]-4-oxo-6-phenylchromene-2-carboxylic acid has a molecular weight of 415.40 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-methoxybenzoyl)amino]-4-oxo-6-phenylchromene-2-carboxylic acid is sourced from PubChem (CID 142544343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).