1-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-phenylurea

C17H18N4O2 — CID 972826

IUPAC1-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-phenylurea
SMILESCC1(C)CC(=O)c2cnc(NC(=O)Nc3ccccc3)nc2C1
InChIInChI=1S/C17H18N4O2/c1-17(2)8-13-12(14(22)9-17)10-18-15(20-13)21-16(23)19-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H2,18,19,20,21,23)
InChIKeyMNLLFLIDPCVMPT-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.28
Rot. Bonds2

About 1-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-phenylurea

1-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-phenylurea (PubChem CID 972826) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-phenylurea
PubChem CID972826
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-phenylurea
SMILESCC1(C)CC(=O)c2cnc(NC(=O)Nc3ccccc3)nc2C1
InChIInChI=1S/C17H18N4O2/c1-17(2)8-13-12(14(22)9-17)10-18-15(20-13)21-16(23)19-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H2,18,19,20,21,23)
InChIKeyMNLLFLIDPCVMPT-UHFFFAOYSA-N
XLogP3.28
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-phenylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-phenylurea?
The IUPAC name of 1-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-phenylurea (CID 972826) is 1-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-phenylurea.
What is the SMILES notation for 1-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-phenylurea?
The canonical SMILES for 1-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-phenylurea is CC1(C)CC(=O)c2cnc(NC(=O)Nc3ccccc3)nc2C1.
What is the InChIKey of 1-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-phenylurea?
The InChIKey is MNLLFLIDPCVMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-17(2)8-13-12(14(22)9-17)10-18-15(20-13)21-16(23)19-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H2,18,19,20,21,23).
What are the key properties of 1-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-phenylurea?
1-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-phenylurea has a molecular weight of 310.36 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-phenylurea is sourced from PubChem (CID 972826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).