N-[(Z)-N'-(7-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide

C18H17N5O2 — CID 135504316

IUPACN-[(Z)-N'-(7-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide
SMILESCOc1ccc2c(C)nc(/N=C(/N)NC(=O)c3ccccc3)nc2c1
InChIInChI=1S/C18H17N5O2/c1-11-14-9-8-13(25-2)10-15(14)21-18(20-11)23-17(19)22-16(24)12-6-4-3-5-7-12/h3-10H,1-2H3,(H3,19,20,21,22,23,24)
InChIKeyTWYVOCLTHFOTPX-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.32
Rot. Bonds3

About N-[(Z)-N'-(7-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide

N-[(Z)-N'-(7-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide (PubChem CID 135504316) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-[(Z)-N'-(7-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide.

Molecular Properties

Compound NameN-[(Z)-N'-(7-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide
PubChem CID135504316
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC NameN-[(Z)-N'-(7-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide
SMILESCOc1ccc2c(C)nc(/N=C(/N)NC(=O)c3ccccc3)nc2c1
InChIInChI=1S/C18H17N5O2/c1-11-14-9-8-13(25-2)10-15(14)21-18(20-11)23-17(19)22-16(24)12-6-4-3-5-7-12/h3-10H,1-2H3,(H3,19,20,21,22,23,24)
InChIKeyTWYVOCLTHFOTPX-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'}

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Related Compounds

4-methoxy-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 174298479
N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 135436000
N-[N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]benzamide
CID 135430047
N-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 135406367
N-[(E)-N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]acetamide
CID 135637427
N-[N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]-2,2-dimethylpropanamide
CID 135492108
4-cyano-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 170701612
2-[N-[N'-(7-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]-C-methylcarbonimidoyl]benzoic acid
CID 5173293
N-[(Z)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide
CID 135543529
ethyl 3-hydroxy-2-[N'-[N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]carbamimidoyl]-3-phenylprop-2-enoate
CID 135520920
1-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]-3-phenylurea
CID 135444510
1-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]-3-phenylurea
CID 135526918

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-N'-(7-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide?
The IUPAC name of N-[(Z)-N'-(7-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide (CID 135504316) is N-[(Z)-N'-(7-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide.
What is the SMILES notation for N-[(Z)-N'-(7-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide?
The canonical SMILES for N-[(Z)-N'-(7-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide is COc1ccc2c(C)nc(/N=C(/N)NC(=O)c3ccccc3)nc2c1.
What is the InChIKey of N-[(Z)-N'-(7-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide?
The InChIKey is TWYVOCLTHFOTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-11-14-9-8-13(25-2)10-15(14)21-18(20-11)23-17(19)22-16(24)12-6-4-3-5-7-12/h3-10H,1-2H3,(H3,19,20,21,22,23,24).
What are the key properties of N-[(Z)-N'-(7-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide?
N-[(Z)-N'-(7-methoxy-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 N-[(Z)-N'-(7-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide is sourced from PubChem (CID 135504316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).