N-(2H-benzotriazol-4-yl)-2-oxochromene-3-carboxamide

C16H10N4O3 — CID 110745226

IUPACN-(2H-benzotriazol-4-yl)-2-oxochromene-3-carboxamide
SMILESO=C(Nc1cccc2n[nH]nc12)c1cc2ccccc2oc1=O
InChIInChI=1S/C16H10N4O3/c21-15(17-11-5-3-6-12-14(11)19-20-18-12)10-8-9-4-1-2-7-13(9)23-16(10)22/h1-8H,(H,17,21)(H,18,19,20)
InChIKeyLMRNBVUWSUVHMS-UHFFFAOYSA-N
MW306.28 g/mol
LogP2.32
Rot. Bonds2

About N-(2H-benzotriazol-4-yl)-2-oxochromene-3-carboxamide

N-(2H-benzotriazol-4-yl)-2-oxochromene-3-carboxamide (PubChem CID 110745226) has the molecular formula C16H10N4O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is N-(2H-benzotriazol-4-yl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2H-benzotriazol-4-yl)-2-oxochromene-3-carboxamide
PubChem CID110745226
Molecular FormulaC16H10N4O3
Molecular Weight306.28 g/mol
Exact Mass306.08
IUPAC NameN-(2H-benzotriazol-4-yl)-2-oxochromene-3-carboxamide
SMILESO=C(Nc1cccc2n[nH]nc12)c1cc2ccccc2oc1=O
InChIInChI=1S/C16H10N4O3/c21-15(17-11-5-3-6-12-14(11)19-20-18-12)10-8-9-4-1-2-7-13(9)23-16(10)22/h1-8H,(H,17,21)(H,18,19,20)
InChIKeyLMRNBVUWSUVHMS-UHFFFAOYSA-N
XLogP2.32
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 52.32
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

2-amino-N-(2H-benzotriazol-4-yl)benzamide
CID 110474353
6-chloro-N-naphthalen-1-yl-2-oxochromene-3-carboxamide
CID 792586
N-(3-carbamoyl-2-methylphenyl)-2-oxochromene-3-carboxamide
CID 34584567
N-(2,6-difluorophenyl)-2-oxochromene-3-carboxamide
CID 42618006
N-[2-(diethylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide
CID 86835457
2-oxo-N-(quinolin-2-ylmethyl)chromene-3-carboxamide
CID 110745561
dimethyl 2-[(2-oxochromene-3-carbonyl)amino]benzene-1,4-dicarboxylate
CID 1033949
N-[4-(hydroxymethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23661443
N-(2,4-dimethoxy-3-methylphenyl)-2-oxochromene-3-carboxamide
CID 110792977
N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-2-oxochromene-3-carboxamide
CID 91813609
N-[3-[(2-chlorobenzoyl)amino]phenyl]-2-oxochromene-3-carboxamide
CID 5346060
N-(2-ethylpyrimidin-5-yl)-2-oxochromene-3-carboxamide
CID 136516823

Frequently Asked Questions

What is the IUPAC name of N-(2H-benzotriazol-4-yl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(2H-benzotriazol-4-yl)-2-oxochromene-3-carboxamide (CID 110745226) is N-(2H-benzotriazol-4-yl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(2H-benzotriazol-4-yl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(2H-benzotriazol-4-yl)-2-oxochromene-3-carboxamide is O=C(Nc1cccc2n[nH]nc12)c1cc2ccccc2oc1=O.
What is the InChIKey of N-(2H-benzotriazol-4-yl)-2-oxochromene-3-carboxamide?
The InChIKey is LMRNBVUWSUVHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O3/c21-15(17-11-5-3-6-12-14(11)19-20-18-12)10-8-9-4-1-2-7-13(9)23-16(10)22/h1-8H,(H,17,21)(H,18,19,20).
What are the key properties of N-(2H-benzotriazol-4-yl)-2-oxochromene-3-carboxamide?
N-(2H-benzotriazol-4-yl)-2-oxochromene-3-carboxamide has a molecular weight of 306.28 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-benzotriazol-4-yl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 110745226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).