1-[(E)-N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]-3-phenylurea

C18H18N6O2 — CID 135401499

IUPAC1-[(E)-N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]-3-phenylurea
SMILESCOc1ccc2nc(/N=C(\N)NC(=O)Nc3ccccc3)nc(C)c2c1
InChIInChI=1S/C18H18N6O2/c1-11-14-10-13(26-2)8-9-15(14)22-17(20-11)23-16(19)24-18(25)21-12-6-4-3-5-7-12/h3-10H,1-2H3,(H4,19,20,21,22,23,24,25)
InChIKeyXAVPMMOTFNOEMA-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.71
Rot. Bonds3

About 1-[(E)-N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]-3-phenylurea

1-[(E)-N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]-3-phenylurea (PubChem CID 135401499) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 1-[(E)-N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(E)-N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]-3-phenylurea
PubChem CID135401499
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name1-[(E)-N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]-3-phenylurea
SMILESCOc1ccc2nc(/N=C(\N)NC(=O)Nc3ccccc3)nc(C)c2c1
InChIInChI=1S/C18H18N6O2/c1-11-14-10-13(26-2)8-9-15(14)22-17(20-11)23-16(19)24-18(25)21-12-6-4-3-5-7-12/h3-10H,1-2H3,(H4,19,20,21,22,23,24,25)
InChIKeyXAVPMMOTFNOEMA-UHFFFAOYSA-N
XLogP2.71
TPSA114.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.71
H-Bond Donors ≤ 53
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

Verubulin
CID 11414799
6-Methoxyquinazoline
CID 13126887
CP-31398
CID 9950868
7-Methoxytacrine
CID 119053
6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
7-(2-Methoxyphenyl)quinazoline-2,4-Diamine
CID 53346505
2,4-Diamino-6-[N-(2',5'-Dimethoxybenzyl)-N-Methylamino]Quinazoline
CID 447021
2-(7-Methoxy-4-methylquinazolin-2-yl)guanidine
CID 2835211
N-(4-Phenoxyphenyl)-4-quinazolinamine
CID 712152
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
2-[(7-Methoxy-4-methylquinazolin-2-yl)amino]-6-phenylpyrimidin-4-ol
CID 135414178
1-Piperazinecarboxamide, 4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-N-phenyl-
CID 3061443

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]-3-phenylurea?
The IUPAC name of 1-[(E)-N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]-3-phenylurea (CID 135401499) is 1-[(E)-N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]-3-phenylurea.
What is the SMILES notation for 1-[(E)-N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]-3-phenylurea?
The canonical SMILES for 1-[(E)-N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]-3-phenylurea is COc1ccc2nc(/N=C(\N)NC(=O)Nc3ccccc3)nc(C)c2c1.
What is the InChIKey of 1-[(E)-N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]-3-phenylurea?
The InChIKey is XAVPMMOTFNOEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-11-14-10-13(26-2)8-9-15(14)22-17(20-11)23-16(19)24-18(25)21-12-6-4-3-5-7-12/h3-10H,1-2H3,(H4,19,20,21,22,23,24,25).
What are the key properties of 1-[(E)-N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]-3-phenylurea?
1-[(E)-N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]-3-phenylurea has a molecular weight of 350.38 g/mol, XLogP of 2.71, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]-3-phenylurea is sourced from PubChem (CID 135401499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).