N-[N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]benzamide

C19H19N5O — CID 135430047

IUPACN-[N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]benzamide
SMILESCc1cc2nc(N=C(N)NC(=O)c3ccccc3)nc(C)c2cc1C
InChIInChI=1S/C19H19N5O/c1-11-9-15-13(3)21-19(22-16(15)10-12(11)2)24-18(20)23-17(25)14-7-5-4-6-8-14/h4-10H,1-3H3,(H3,20,21,22,23,24,25)
InChIKeyOYVBVMJMWOSKAH-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.93
Rot. Bonds2

About N-[N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]benzamide

N-[N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]benzamide (PubChem CID 135430047) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is N-[N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]benzamide.

Molecular Properties

Compound NameN-[N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]benzamide
PubChem CID135430047
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC NameN-[N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]benzamide
SMILESCc1cc2nc(N=C(N)NC(=O)c3ccccc3)nc(C)c2cc1C
InChIInChI=1S/C19H19N5O/c1-11-9-15-13(3)21-19(22-16(15)10-12(11)2)24-18(20)23-17(25)14-7-5-4-6-8-14/h4-10H,1-3H3,(H3,20,21,22,23,24,25)
InChIKeyOYVBVMJMWOSKAH-UHFFFAOYSA-N
XLogP2.93
TPSA93.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.93
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'}

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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
N-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 135406367
4-methoxy-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 174298479
4-cyano-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 170701612
N-[(Z)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide
CID 135543529
N-[(E)-N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-2-phenylacetamide
CID 135447204
2-chloro-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 174298473
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-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanamide
CID 135506328

Frequently Asked Questions

What is the IUPAC name of N-[N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]benzamide?
The IUPAC name of N-[N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]benzamide (CID 135430047) is N-[N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]benzamide.
What is the SMILES notation for N-[N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]benzamide?
The canonical SMILES for N-[N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]benzamide is Cc1cc2nc(N=C(N)NC(=O)c3ccccc3)nc(C)c2cc1C.
What is the InChIKey of N-[N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]benzamide?
The InChIKey is OYVBVMJMWOSKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-11-9-15-13(3)21-19(22-16(15)10-12(11)2)24-18(20)23-17(25)14-7-5-4-6-8-14/h4-10H,1-3H3,(H3,20,21,22,23,24,25).
What are the key properties of N-[N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]benzamide?
N-[N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]benzamide has a molecular weight of 333.40 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]benzamide is sourced from PubChem (CID 135430047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).