2-(4-oxo-3H-quinazolin-2-yl)-1-phenylguanidine

C15H13N5O — CID 135994268

IUPAC2-(4-oxo-3H-quinazolin-2-yl)-1-phenylguanidine
SMILESN/C(=N\c1nc2ccccc2c(=O)[nH]1)Nc1ccccc1
InChIInChI=1S/C15H13N5O/c16-14(17-10-6-2-1-3-7-10)20-15-18-12-9-5-4-8-11(12)13(21)19-15/h1-9H,(H4,16,17,18,19,20,21)
InChIKeyISGQKCPKTMMCGS-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.98
Rot. Bonds2

About 2-(4-oxo-3H-quinazolin-2-yl)-1-phenylguanidine

2-(4-oxo-3H-quinazolin-2-yl)-1-phenylguanidine (PubChem CID 135994268) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(4-oxo-3H-quinazolin-2-yl)-1-phenylguanidine.

Molecular Properties

Compound Name2-(4-oxo-3H-quinazolin-2-yl)-1-phenylguanidine
PubChem CID135994268
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name2-(4-oxo-3H-quinazolin-2-yl)-1-phenylguanidine
SMILESN/C(=N\c1nc2ccccc2c(=O)[nH]1)Nc1ccccc1
InChIInChI=1S/C15H13N5O/c16-14(17-10-6-2-1-3-7-10)20-15-18-12-9-5-4-8-11(12)13(21)19-15/h1-9H,(H4,16,17,18,19,20,21)
InChIKeyISGQKCPKTMMCGS-UHFFFAOYSA-N
XLogP1.98
TPSA96.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

(Z)-4-oxo-4-[[N'-(4-oxo-3H-quinazolin-2-yl)carbamimidoyl]amino]but-2-enoic acid
CID 135883926
2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)-1-phenylguanidine
CID 135479085
4-oxo-N-phenyl-3H-quinazoline-2-carboxamide
CID 135794299
1-(4-oxo-3H-quinazolin-2-yl)-3-phenylthiourea
CID 136646624
1-(3-chlorophenyl)-2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)guanidine
CID 135486398
1-(4-methylphenyl)-2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)guanidine
CID 135951714
2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine
CID 135504526
2-(1,5-dioxo-2H-2,4-benzodiazepin-3-yl)-1,1-dimethylguanidine
CID 164889015
2-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-ethoxyphenyl)guanidine
CID 135802191
1-(4-methylphenyl)-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)guanidine
CID 135883195
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
3-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide
CID 175916852

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3H-quinazolin-2-yl)-1-phenylguanidine?
The IUPAC name of 2-(4-oxo-3H-quinazolin-2-yl)-1-phenylguanidine (CID 135994268) is 2-(4-oxo-3H-quinazolin-2-yl)-1-phenylguanidine.
What is the SMILES notation for 2-(4-oxo-3H-quinazolin-2-yl)-1-phenylguanidine?
The canonical SMILES for 2-(4-oxo-3H-quinazolin-2-yl)-1-phenylguanidine is N/C(=N\c1nc2ccccc2c(=O)[nH]1)Nc1ccccc1.
What is the InChIKey of 2-(4-oxo-3H-quinazolin-2-yl)-1-phenylguanidine?
The InChIKey is ISGQKCPKTMMCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c16-14(17-10-6-2-1-3-7-10)20-15-18-12-9-5-4-8-11(12)13(21)19-15/h1-9H,(H4,16,17,18,19,20,21).
What are the key properties of 2-(4-oxo-3H-quinazolin-2-yl)-1-phenylguanidine?
2-(4-oxo-3H-quinazolin-2-yl)-1-phenylguanidine has a molecular weight of 279.30 g/mol, XLogP of 1.98, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3H-quinazolin-2-yl)-1-phenylguanidine is sourced from PubChem (CID 135994268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).