7-hydroxy-6-methoxy-2-oxo-N-phenylchromene-3-carboxamide

C17H13NO5 — CID 156695952

IUPAC7-hydroxy-6-methoxy-2-oxo-N-phenylchromene-3-carboxamide
SMILESCOc1cc2cc(C(=O)Nc3ccccc3)c(=O)oc2cc1O
InChIInChI=1S/C17H13NO5/c1-22-15-8-10-7-12(17(21)23-14(10)9-13(15)19)16(20)18-11-5-3-2-4-6-11/h2-9,19H,1H3,(H,18,20)
InChIKeyUXNIDGZNGJMGHX-UHFFFAOYSA-N
MW311.29 g/mol
LogP2.76
Rot. Bonds3

About 7-hydroxy-6-methoxy-2-oxo-N-phenylchromene-3-carboxamide

7-hydroxy-6-methoxy-2-oxo-N-phenylchromene-3-carboxamide (PubChem CID 156695952) has the molecular formula C17H13NO5 and a molecular weight of 311.29 g/mol. Its IUPAC name is 7-hydroxy-6-methoxy-2-oxo-N-phenylchromene-3-carboxamide.

Molecular Properties

Compound Name7-hydroxy-6-methoxy-2-oxo-N-phenylchromene-3-carboxamide
PubChem CID156695952
Molecular FormulaC17H13NO5
Molecular Weight311.29 g/mol
Exact Mass311.08
IUPAC Name7-hydroxy-6-methoxy-2-oxo-N-phenylchromene-3-carboxamide
SMILESCOc1cc2cc(C(=O)Nc3ccccc3)c(=O)oc2cc1O
InChIInChI=1S/C17H13NO5/c1-22-15-8-10-7-12(17(21)23-14(10)9-13(15)19)16(20)18-11-5-3-2-4-6-11/h2-9,19H,1H3,(H,18,20)
InChIKeyUXNIDGZNGJMGHX-UHFFFAOYSA-N
XLogP2.76
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

phenyl 7-hydroxy-6-methoxy-2-oxochromene-3-carboxylate
CID 129041798
7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-6-methoxy-2-oxochromene-3-carboxamide
CID 118708727
6-bromo-2-oxo-N-phenylchromene-3-carboxamide
CID 747661
8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide
CID 4523886
6-methoxy-N-naphthalen-2-yl-2-oxochromene-3-carboxamide
CID 16645470
N-(3-benzyl-4-methoxyphenyl)-2-oxochromene-3-carboxamide
CID 24571213
6-nitro-2-oxo-N-phenylchromene-3-carboxamide
CID 739350
N-(2,4-dimethoxy-3-methylphenyl)-2-oxochromene-3-carboxamide
CID 110792977
N-[2-[benzyl(methyl)amino]ethyl]-6,7-dimethoxy-2-oxochromene-3-carboxamide
CID 71508315
6-methoxy-2-oxo-N-pyridin-4-ylchromene-3-carboxamide
CID 3786468
N-(4-bromophenyl)-7-methoxy-2-oxochromene-3-carboxamide
CID 5262383
7-hydroxy-N-(4-hydroxyphenyl)-2-oxochromene-3-carboxamide
CID 23730518

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-methoxy-2-oxo-N-phenylchromene-3-carboxamide?
The IUPAC name of 7-hydroxy-6-methoxy-2-oxo-N-phenylchromene-3-carboxamide (CID 156695952) is 7-hydroxy-6-methoxy-2-oxo-N-phenylchromene-3-carboxamide.
What is the SMILES notation for 7-hydroxy-6-methoxy-2-oxo-N-phenylchromene-3-carboxamide?
The canonical SMILES for 7-hydroxy-6-methoxy-2-oxo-N-phenylchromene-3-carboxamide is COc1cc2cc(C(=O)Nc3ccccc3)c(=O)oc2cc1O.
What is the InChIKey of 7-hydroxy-6-methoxy-2-oxo-N-phenylchromene-3-carboxamide?
The InChIKey is UXNIDGZNGJMGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO5/c1-22-15-8-10-7-12(17(21)23-14(10)9-13(15)19)16(20)18-11-5-3-2-4-6-11/h2-9,19H,1H3,(H,18,20).
What are the key properties of 7-hydroxy-6-methoxy-2-oxo-N-phenylchromene-3-carboxamide?
7-hydroxy-6-methoxy-2-oxo-N-phenylchromene-3-carboxamide has a molecular weight of 311.29 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-methoxy-2-oxo-N-phenylchromene-3-carboxamide is sourced from PubChem (CID 156695952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).