N-[(E)-N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-2-phenylacetamide

C19H19N5O — CID 135447204

IUPACN-[(E)-N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-2-phenylacetamide
SMILESCc1ccc2nc(/N=C(\N)NC(=O)Cc3ccccc3)nc(C)c2c1
InChIInChI=1S/C19H19N5O/c1-12-8-9-16-15(10-12)13(2)21-19(22-16)24-18(20)23-17(25)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H3,20,21,22,23,24,25)
InChIKeyKVKSMHRGQITYRC-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.55
Rot. Bonds3

About N-[(E)-N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-2-phenylacetamide

N-[(E)-N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-2-phenylacetamide (PubChem CID 135447204) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is N-[(E)-N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(E)-N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-2-phenylacetamide
PubChem CID135447204
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC NameN-[(E)-N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-2-phenylacetamide
SMILESCc1ccc2nc(/N=C(\N)NC(=O)Cc3ccccc3)nc(C)c2c1
InChIInChI=1S/C19H19N5O/c1-12-8-9-16-15(10-12)13(2)21-19(22-16)24-18(20)23-17(25)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H3,20,21,22,23,24,25)
InChIKeyKVKSMHRGQITYRC-UHFFFAOYSA-N
XLogP2.55
TPSA93.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[(E)-N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-2-phenylacetamide 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-[(Z)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanamide
CID 135451367
N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanamide
CID 135506328
N-[(Z)-N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]phenothiazine-10-carboxamide
CID 137296928
N-[N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]benzamide
CID 135430047
N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 135436000
2-cyclopentyl-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide
CID 170701778
4-(dimethylamino)-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanamide
CID 170701640
1-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]-3-phenylurea
CID 135526918
1-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]-3-phenylurea
CID 135444510
2-chloro-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 174298473
3-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]-5-[[2-[[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]carbamoyl]phenyl]methyl]benzene-1,3-dicarboxamide
CID 170701650
4-methoxy-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 174298479

Frequently Asked Questions

What is the IUPAC name of N-[(E)-N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-2-phenylacetamide?
The IUPAC name of N-[(E)-N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-2-phenylacetamide (CID 135447204) is N-[(E)-N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-2-phenylacetamide.
What is the SMILES notation for N-[(E)-N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-2-phenylacetamide?
The canonical SMILES for N-[(E)-N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-2-phenylacetamide is Cc1ccc2nc(/N=C(\N)NC(=O)Cc3ccccc3)nc(C)c2c1.
What is the InChIKey of N-[(E)-N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-2-phenylacetamide?
The InChIKey is KVKSMHRGQITYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-12-8-9-16-15(10-12)13(2)21-19(22-16)24-18(20)23-17(25)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H3,20,21,22,23,24,25).
What are the key properties of N-[(E)-N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-2-phenylacetamide?
N-[(E)-N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-2-phenylacetamide has a molecular weight of 333.40 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-2-phenylacetamide is sourced from PubChem (CID 135447204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).