2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-1-phenylguanidine

C15H17N5O — CID 135513612

IUPAC2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-1-phenylguanidine
SMILESN/C(=N\c1nc2c(c(=O)[nH]1)CCCC2)Nc1ccccc1
InChIInChI=1S/C15H17N5O/c16-14(17-10-6-2-1-3-7-10)20-15-18-12-9-5-4-8-11(12)13(21)19-15/h1-3,6-7H,4-5,8-9H2,(H4,16,17,18,19,20,21)
InChIKeyCJTRAQNFBOTZNW-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.71
Rot. Bonds2

About 2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-1-phenylguanidine

2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-1-phenylguanidine (PubChem CID 135513612) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-1-phenylguanidine.

Molecular Properties

Compound Name2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-1-phenylguanidine
PubChem CID135513612
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-1-phenylguanidine
SMILESN/C(=N\c1nc2c(c(=O)[nH]1)CCCC2)Nc1ccccc1
InChIInChI=1S/C15H17N5O/c16-14(17-10-6-2-1-3-7-10)20-15-18-12-9-5-4-8-11(12)13(21)19-15/h1-3,6-7H,4-5,8-9H2,(H4,16,17,18,19,20,21)
InChIKeyCJTRAQNFBOTZNW-UHFFFAOYSA-N
XLogP1.71
TPSA96.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.71
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-1-phenylguanidine?
The IUPAC name of 2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-1-phenylguanidine (CID 135513612) is 2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-1-phenylguanidine.
What is the SMILES notation for 2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-1-phenylguanidine?
The canonical SMILES for 2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-1-phenylguanidine is N/C(=N\c1nc2c(c(=O)[nH]1)CCCC2)Nc1ccccc1.
What is the InChIKey of 2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-1-phenylguanidine?
The InChIKey is CJTRAQNFBOTZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c16-14(17-10-6-2-1-3-7-10)20-15-18-12-9-5-4-8-11(12)13(21)19-15/h1-3,6-7H,4-5,8-9H2,(H4,16,17,18,19,20,21).
What are the key properties of 2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-1-phenylguanidine?
2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-1-phenylguanidine has a molecular weight of 283.33 g/mol, XLogP of 1.71, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-1-phenylguanidine is sourced from PubChem (CID 135513612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).