N-[2-oxo-4-[(4-oxoquinazolin-3-yl)methyl]chromen-7-yl]acetamide

C20H15N3O4 — CID 51195257

IUPACN-[2-oxo-4-[(4-oxoquinazolin-3-yl)methyl]chromen-7-yl]acetamide
SMILESCC(=O)Nc1ccc2c(Cn3cnc4ccccc4c3=O)cc(=O)oc2c1
InChIInChI=1S/C20H15N3O4/c1-12(24)22-14-6-7-15-13(8-19(25)27-18(15)9-14)10-23-11-21-17-5-3-2-4-16(17)20(23)26/h2-9,11H,10H2,1H3,(H,22,24)
InChIKeyAYIODJFRAVUFLY-UHFFFAOYSA-N
MW361.36 g/mol
LogP2.51
Rot. Bonds3

About N-[2-oxo-4-[(4-oxoquinazolin-3-yl)methyl]chromen-7-yl]acetamide

N-[2-oxo-4-[(4-oxoquinazolin-3-yl)methyl]chromen-7-yl]acetamide (PubChem CID 51195257) has the molecular formula C20H15N3O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is N-[2-oxo-4-[(4-oxoquinazolin-3-yl)methyl]chromen-7-yl]acetamide.

Molecular Properties

Compound NameN-[2-oxo-4-[(4-oxoquinazolin-3-yl)methyl]chromen-7-yl]acetamide
PubChem CID51195257
Molecular FormulaC20H15N3O4
Molecular Weight361.36 g/mol
Exact Mass361.11
IUPAC NameN-[2-oxo-4-[(4-oxoquinazolin-3-yl)methyl]chromen-7-yl]acetamide
SMILESCC(=O)Nc1ccc2c(Cn3cnc4ccccc4c3=O)cc(=O)oc2c1
InChIInChI=1S/C20H15N3O4/c1-12(24)22-14-6-7-15-13(8-19(25)27-18(15)9-14)10-23-11-21-17-5-3-2-4-16(17)20(23)26/h2-9,11H,10H2,1H3,(H,22,24)
InChIKeyAYIODJFRAVUFLY-UHFFFAOYSA-N
XLogP2.51
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-oxo-4-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]chromen-7-yl]acetamide
CID 46818905
N-[4-[[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-2-oxochromen-7-yl]acetamide
CID 16532498
N-[4-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-2-oxochromen-7-yl]acetamide
CID 16500025
N-[4-[(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)methyl]-2-oxochromen-7-yl]acetamide
CID 42972075
N-(2-methyl-1,3-benzoxazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 26682960
(7-acetamido-2-oxochromen-4-yl)methyl 4-oxo-3-propan-2-ylphthalazine-1-carboxylate
CID 55325652
N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 852114
(7-acetamido-2-oxochromen-4-yl)methyl 1-benzylpyrazole-4-carboxylate
CID 16575866
N-[4-[[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methyl]-2-oxochromen-7-yl]acetamide
CID 55537984
ethyl N-[4-[(4-oxoquinazolin-3-yl)methyl]phenyl]carbamate
CID 110179445
N-[2-oxo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]chromen-7-yl]acetamide
CID 46813124
N-[4-[[benzyl(prop-2-enyl)amino]methyl]-2-oxochromen-7-yl]acetamide
CID 35164721

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-4-[(4-oxoquinazolin-3-yl)methyl]chromen-7-yl]acetamide?
The IUPAC name of N-[2-oxo-4-[(4-oxoquinazolin-3-yl)methyl]chromen-7-yl]acetamide (CID 51195257) is N-[2-oxo-4-[(4-oxoquinazolin-3-yl)methyl]chromen-7-yl]acetamide.
What is the SMILES notation for N-[2-oxo-4-[(4-oxoquinazolin-3-yl)methyl]chromen-7-yl]acetamide?
The canonical SMILES for N-[2-oxo-4-[(4-oxoquinazolin-3-yl)methyl]chromen-7-yl]acetamide is CC(=O)Nc1ccc2c(Cn3cnc4ccccc4c3=O)cc(=O)oc2c1.
What is the InChIKey of N-[2-oxo-4-[(4-oxoquinazolin-3-yl)methyl]chromen-7-yl]acetamide?
The InChIKey is AYIODJFRAVUFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4/c1-12(24)22-14-6-7-15-13(8-19(25)27-18(15)9-14)10-23-11-21-17-5-3-2-4-16(17)20(23)26/h2-9,11H,10H2,1H3,(H,22,24).
What are the key properties of N-[2-oxo-4-[(4-oxoquinazolin-3-yl)methyl]chromen-7-yl]acetamide?
N-[2-oxo-4-[(4-oxoquinazolin-3-yl)methyl]chromen-7-yl]acetamide has a molecular weight of 361.36 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-4-[(4-oxoquinazolin-3-yl)methyl]chromen-7-yl]acetamide is sourced from PubChem (CID 51195257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).