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

C17H15N5O — CID 135436000

IUPACN-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
SMILESCc1nc(N=C(N)NC(=O)c2ccccc2)nc2ccccc12
InChIInChI=1S/C17H15N5O/c1-11-13-9-5-6-10-14(13)20-17(19-11)22-16(18)21-15(23)12-7-3-2-4-8-12/h2-10H,1H3,(H3,18,19,20,21,22,23)
InChIKeyWJSGMNIEESFJHZ-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.31
Rot. Bonds2

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

N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide (PubChem CID 135436000) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide.

Molecular Properties

Compound NameN-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
PubChem CID135436000
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC NameN-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
SMILESCc1nc(N=C(N)NC(=O)c2ccccc2)nc2ccccc12
InChIInChI=1S/C17H15N5O/c1-11-13-9-5-6-10-14(13)20-17(19-11)22-16(18)21-15(23)12-7-3-2-4-8-12/h2-10H,1H3,(H3,18,19,20,21,22,23)
InChIKeyWJSGMNIEESFJHZ-UHFFFAOYSA-N
XLogP2.31
TPSA93.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.31
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

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-[N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]benzamide
CID 135430047
N-[(Z)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide
CID 135543529
N-[(Z)-N'-(7-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 135504316
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-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanamide
CID 135506328
N-[(Z)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanamide
CID 135451367
N-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 135406367
N'-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanediamide
CID 174298249

Frequently Asked Questions

What is the IUPAC name of N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide?
The IUPAC name of N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide (CID 135436000) is N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide.
What is the SMILES notation for N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide?
The canonical SMILES for N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide is Cc1nc(N=C(N)NC(=O)c2ccccc2)nc2ccccc12.
What is the InChIKey of N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide?
The InChIKey is WJSGMNIEESFJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-11-13-9-5-6-10-14(13)20-17(19-11)22-16(18)21-15(23)12-7-3-2-4-8-12/h2-10H,1H3,(H3,18,19,20,21,22,23).
What are the key properties of N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide?
N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide has a molecular weight of 305.34 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide is sourced from PubChem (CID 135436000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).