4-methoxy-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide

C18H17N5O2 — CID 174298479

IUPAC4-methoxy-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
SMILESCOc1ccc(C(=O)NC(N)=Nc2nc(C)c3ccccc3n2)cc1
InChIInChI=1S/C18H17N5O2/c1-11-14-5-3-4-6-15(14)21-18(20-11)23-17(19)22-16(24)12-7-9-13(25-2)10-8-12/h3-10H,1-2H3,(H3,19,20,21,22,23,24)
InChIKeyNGIPPDFPLMRTMG-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.32
Rot. Bonds3

About 4-methoxy-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide

4-methoxy-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide (PubChem CID 174298479) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 4-methoxy-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
PubChem CID174298479
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name4-methoxy-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
SMILESCOc1ccc(C(=O)NC(N)=Nc2nc(C)c3ccccc3n2)cc1
InChIInChI=1S/C18H17N5O2/c1-11-14-5-3-4-6-15(14)21-18(20-11)23-17(19)22-16(24)12-7-9-13(25-2)10-8-12/h3-10H,1-2H3,(H3,19,20,21,22,23,24)
InChIKeyNGIPPDFPLMRTMG-UHFFFAOYSA-N
XLogP2.32
TPSA102.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-methoxy-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide 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-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 135436000
N-[(Z)-N'-(7-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 135504316
4-cyano-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 170701612
N-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 135406367
N-[(Z)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide
CID 135543529
N-[N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]benzamide
CID 135430047
1-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]-3-phenylurea
CID 135526918
1-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]-3-phenylurea
CID 135444510
N-[(E)-N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]acetamide
CID 135637427
N-[(Z)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanamide
CID 135451367
N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanamide
CID 135506328
N'-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanediamide
CID 174298249

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide?
The IUPAC name of 4-methoxy-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide (CID 174298479) is 4-methoxy-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide?
The canonical SMILES for 4-methoxy-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide is COc1ccc(C(=O)NC(N)=Nc2nc(C)c3ccccc3n2)cc1.
What is the InChIKey of 4-methoxy-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide?
The InChIKey is NGIPPDFPLMRTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-11-14-5-3-4-6-15(14)21-18(20-11)23-17(19)22-16(24)12-7-9-13(25-2)10-8-12/h3-10H,1-2H3,(H3,19,20,21,22,23,24).
What are the key properties of 4-methoxy-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide?
4-methoxy-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide has a molecular weight of 335.37 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide is sourced from PubChem (CID 174298479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).