N-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide

C19H19N5O2 — CID 135406367

IUPACN-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide
SMILESCCOc1ccc2nc(N=C(N)NC(=O)c3ccccc3)nc(C)c2c1
InChIInChI=1S/C19H19N5O2/c1-3-26-14-9-10-16-15(11-14)12(2)21-19(22-16)24-18(20)23-17(25)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H3,20,21,22,23,24,25)
InChIKeyOVTVEDPYLGMCKU-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.71
Rot. Bonds4

About N-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide

N-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide (PubChem CID 135406367) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide.

Molecular Properties

Compound NameN-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide
PubChem CID135406367
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide
SMILESCCOc1ccc2nc(N=C(N)NC(=O)c3ccccc3)nc(C)c2c1
InChIInChI=1S/C19H19N5O2/c1-3-26-14-9-10-16-15(11-14)12(2)21-19(22-16)24-18(20)23-17(25)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H3,20,21,22,23,24,25)
InChIKeyOVTVEDPYLGMCKU-UHFFFAOYSA-N
XLogP2.71
TPSA102.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.71
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'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]benzamide
CID 135430047
N-[(Z)-N'-(7-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 135504316
N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 135436000
1-cyclohexyl-3-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]urea
CID 135452734
1-cyclohexyl-3-[(E)-N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]urea
CID 135546025
4-methoxy-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 174298479
ethyl (E)-2-[(E)-N'-[(E)-N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]carbamimidoyl]-3-hydroxy-3-phenylprop-2-enoate
CID 135643695
N-[(E)-N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]acetamide
CID 135637427
(E)-[amino-[(4-methylbenzoyl)amino]methylidene]-(6-ethoxy-4-methylquinazolin-2-yl)azanium
CID 135960932
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
ethyl 3-hydroxy-2-[N'-[N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]carbamimidoyl]-3-phenylprop-2-enoate
CID 135520920

Frequently Asked Questions

What is the IUPAC name of N-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide?
The IUPAC name of N-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide (CID 135406367) is N-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide.
What is the SMILES notation for N-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide?
The canonical SMILES for N-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide is CCOc1ccc2nc(N=C(N)NC(=O)c3ccccc3)nc(C)c2c1.
What is the InChIKey of N-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide?
The InChIKey is OVTVEDPYLGMCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-3-26-14-9-10-16-15(11-14)12(2)21-19(22-16)24-18(20)23-17(25)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H3,20,21,22,23,24,25).
What are the key properties of N-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide?
N-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide has a molecular weight of 349.39 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide is sourced from PubChem (CID 135406367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).