N-[(4-methylphenyl)carbamoyl]-2-[(6-nitro-4-oxoquinazolin-3-yl)methylamino]acetamide

C19H18N6O5 — CID 3070678

IUPACN-[(4-methylphenyl)carbamoyl]-2-[(6-nitro-4-oxoquinazolin-3-yl)methylamino]acetamide
SMILESCc1ccc(NC(=O)NC(=O)CNCn2cnc3ccc([N+](=O)[O-])cc3c2=O)cc1
InChIInChI=1S/C19H18N6O5/c1-12-2-4-13(5-3-12)22-19(28)23-17(26)9-20-10-24-11-21-16-7-6-14(25(29)30)8-15(16)18(24)27/h2-8,11,20H,9-10H2,1H3,(H2,22,23,26,28)
InChIKeyMPZRIUUPKGGUOW-UHFFFAOYSA-N
MW410.39 g/mol
LogP1.51
Rot. Bonds6

About N-[(4-methylphenyl)carbamoyl]-2-[(6-nitro-4-oxoquinazolin-3-yl)methylamino]acetamide

N-[(4-methylphenyl)carbamoyl]-2-[(6-nitro-4-oxoquinazolin-3-yl)methylamino]acetamide (PubChem CID 3070678) has the molecular formula C19H18N6O5 and a molecular weight of 410.39 g/mol. Its IUPAC name is N-[(4-methylphenyl)carbamoyl]-2-[(6-nitro-4-oxoquinazolin-3-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)carbamoyl]-2-[(6-nitro-4-oxoquinazolin-3-yl)methylamino]acetamide
PubChem CID3070678
Molecular FormulaC19H18N6O5
Molecular Weight410.39 g/mol
Exact Mass410.13
IUPAC NameN-[(4-methylphenyl)carbamoyl]-2-[(6-nitro-4-oxoquinazolin-3-yl)methylamino]acetamide
SMILESCc1ccc(NC(=O)NC(=O)CNCn2cnc3ccc([N+](=O)[O-])cc3c2=O)cc1
InChIInChI=1S/C19H18N6O5/c1-12-2-4-13(5-3-12)22-19(28)23-17(26)9-20-10-24-11-21-16-7-6-14(25(29)30)8-15(16)18(24)27/h2-8,11,20H,9-10H2,1H3,(H2,22,23,26,28)
InChIKeyMPZRIUUPKGGUOW-UHFFFAOYSA-N
XLogP1.51
TPSA148.26 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(4-methylphenyl)carbamoyl]-2-[(6-nitro-4-oxoquinazolin-3-yl)methylamino]acetamide 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-(5-methyl-1,2-oxazol-3-yl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7227243
ethyl 4-[[2-(6-nitro-4-oxoquinazolin-3-yl)acetyl]amino]benzoate
CID 4850916
ethyl N-[2-(6-nitro-4-oxoquinazolin-3-yl)acetyl]carbamate
CID 7227310
N-(3,4-dichlorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 84601847
N-[(2,4-dimethylphenyl)carbamoyl]-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 55308269
2-(6-nitro-4-oxoquinazolin-3-yl)acetic acid
CID 2476040
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-nitrophenyl)acetamide
CID 8536853
6-nitro-3-(3-oxobutyl)quinazolin-4-one
CID 7568902
N-butyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 9464587
N-[(2S)-butan-2-yl]-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7284295
N-(1,3-benzodioxol-5-yl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7227348
2-(6-nitro-4-oxoquinazolin-3-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 51286316

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)carbamoyl]-2-[(6-nitro-4-oxoquinazolin-3-yl)methylamino]acetamide?
The IUPAC name of N-[(4-methylphenyl)carbamoyl]-2-[(6-nitro-4-oxoquinazolin-3-yl)methylamino]acetamide (CID 3070678) is N-[(4-methylphenyl)carbamoyl]-2-[(6-nitro-4-oxoquinazolin-3-yl)methylamino]acetamide.
What is the SMILES notation for N-[(4-methylphenyl)carbamoyl]-2-[(6-nitro-4-oxoquinazolin-3-yl)methylamino]acetamide?
The canonical SMILES for N-[(4-methylphenyl)carbamoyl]-2-[(6-nitro-4-oxoquinazolin-3-yl)methylamino]acetamide is Cc1ccc(NC(=O)NC(=O)CNCn2cnc3ccc([N+](=O)[O-])cc3c2=O)cc1.
What is the InChIKey of N-[(4-methylphenyl)carbamoyl]-2-[(6-nitro-4-oxoquinazolin-3-yl)methylamino]acetamide?
The InChIKey is MPZRIUUPKGGUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O5/c1-12-2-4-13(5-3-12)22-19(28)23-17(26)9-20-10-24-11-21-16-7-6-14(25(29)30)8-15(16)18(24)27/h2-8,11,20H,9-10H2,1H3,(H2,22,23,26,28).
What are the key properties of N-[(4-methylphenyl)carbamoyl]-2-[(6-nitro-4-oxoquinazolin-3-yl)methylamino]acetamide?
N-[(4-methylphenyl)carbamoyl]-2-[(6-nitro-4-oxoquinazolin-3-yl)methylamino]acetamide has a molecular weight of 410.39 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)carbamoyl]-2-[(6-nitro-4-oxoquinazolin-3-yl)methylamino]acetamide is sourced from PubChem (CID 3070678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).