3-methyl-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]quinazoline-2-carboxamide

C19H16N4O4 — CID 59298397

IUPAC3-methyl-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]quinazoline-2-carboxamide
SMILESCn1c(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2ccccc2c1=O
InChIInChI=1S/C19H16N4O4/c1-23-17(22-13-5-3-2-4-12(13)19(23)26)18(25)20-9-11-6-7-15-14(8-11)21-16(24)10-27-15/h2-8H,9-10H2,1H3,(H,20,25)(H,21,24)
InChIKeySHOYOMTUDSUPLP-UHFFFAOYSA-N
MW364.36 g/mol
LogP1.19
Rot. Bonds3

About 3-methyl-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]quinazoline-2-carboxamide

3-methyl-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]quinazoline-2-carboxamide (PubChem CID 59298397) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is 3-methyl-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]quinazoline-2-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]quinazoline-2-carboxamide
PubChem CID59298397
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC Name3-methyl-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]quinazoline-2-carboxamide
SMILESCn1c(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2ccccc2c1=O
InChIInChI=1S/C19H16N4O4/c1-23-17(22-13-5-3-2-4-12(13)19(23)26)18(25)20-9-11-6-7-15-14(8-11)21-16(24)10-27-15/h2-8H,9-10H2,1H3,(H,20,25)(H,21,24)
InChIKeySHOYOMTUDSUPLP-UHFFFAOYSA-N
XLogP1.19
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-methyl-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]quinazoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-chlorophenyl)methyl]-3-methyl-4-oxoquinazoline-2-carboxamide
CID 39335309
4-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrazolo[1,5-a][1,3,5]triazine-2-carboxylic acid
CID 91490046
ethane;6-methyl-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-quinazoline-2-carboxamide
CID 143679618
3-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide
CID 39046968
N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-2-pyridin-4-ylacetamide
CID 59802771
N-[(3-methylphenyl)methyl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770256
4-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide
CID 110738398
2,2-dimethyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]propanamide
CID 110738388
6-benzyl-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 59298729
N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]quinoxaline-6-carboxamide
CID 59802654
6-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110746339
N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]thieno[3,2-d]pyrimidine-4-carboxamide
CID 59802537

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]quinazoline-2-carboxamide?
The IUPAC name of 3-methyl-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]quinazoline-2-carboxamide (CID 59298397) is 3-methyl-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]quinazoline-2-carboxamide.
What is the SMILES notation for 3-methyl-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]quinazoline-2-carboxamide?
The canonical SMILES for 3-methyl-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]quinazoline-2-carboxamide is Cn1c(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2ccccc2c1=O.
What is the InChIKey of 3-methyl-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]quinazoline-2-carboxamide?
The InChIKey is SHOYOMTUDSUPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4/c1-23-17(22-13-5-3-2-4-12(13)19(23)26)18(25)20-9-11-6-7-15-14(8-11)21-16(24)10-27-15/h2-8H,9-10H2,1H3,(H,20,25)(H,21,24).
What are the key properties of 3-methyl-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]quinazoline-2-carboxamide?
3-methyl-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]quinazoline-2-carboxamide has a molecular weight of 364.36 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]quinazoline-2-carboxamide is sourced from PubChem (CID 59298397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).