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

C18H14N6O — CID 170701612

IUPAC4-cyano-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
SMILESCc1nc(/N=C(\N)NC(=O)c2ccc(C#N)cc2)nc2ccccc12
InChIInChI=1S/C18H14N6O/c1-11-14-4-2-3-5-15(14)22-18(21-11)24-17(20)23-16(25)13-8-6-12(10-19)7-9-13/h2-9H,1H3,(H3,20,21,22,23,24,25)
InChIKeyRSLLLXWIIVBUIB-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.19
Rot. Bonds2

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

4-cyano-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide (PubChem CID 170701612) has the molecular formula C18H14N6O and a molecular weight of 330.35 g/mol. Its IUPAC name is 4-cyano-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
PubChem CID170701612
Molecular FormulaC18H14N6O
Molecular Weight330.35 g/mol
Exact Mass330.12
IUPAC Name4-cyano-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
SMILESCc1nc(/N=C(\N)NC(=O)c2ccc(C#N)cc2)nc2ccccc12
InChIInChI=1S/C18H14N6O/c1-11-14-4-2-3-5-15(14)22-18(21-11)24-17(20)23-16(25)13-8-6-12(10-19)7-9-13/h2-9H,1H3,(H3,20,21,22,23,24,25)
InChIKeyRSLLLXWIIVBUIB-UHFFFAOYSA-N
XLogP2.19
TPSA117.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.19
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'}

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Related Compounds

N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 135436000
4-methoxy-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 174298479
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-[(Z)-N'-(7-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 135504316
N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanamide
CID 135506328
N'-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanediamide
CID 174298249
N-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 135406367
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
2-cyclopentyl-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide
CID 170701778

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide?
The IUPAC name of 4-cyano-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide (CID 170701612) is 4-cyano-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide.
What is the SMILES notation for 4-cyano-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide?
The canonical SMILES for 4-cyano-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide is Cc1nc(/N=C(\N)NC(=O)c2ccc(C#N)cc2)nc2ccccc12.
What is the InChIKey of 4-cyano-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide?
The InChIKey is RSLLLXWIIVBUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O/c1-11-14-4-2-3-5-15(14)22-18(21-11)24-17(20)23-16(25)13-8-6-12(10-19)7-9-13/h2-9H,1H3,(H3,20,21,22,23,24,25).
What are the key properties of 4-cyano-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide?
4-cyano-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide has a molecular weight of 330.35 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide is sourced from PubChem (CID 170701612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).