N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclohexanecarboxamide

C17H23N3O2 — CID 6456185

IUPACN-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclohexanecarboxamide
SMILESCC1(C)CC(=O)c2cnc(NC(=O)C3CCCCC3)nc2C1
InChIInChI=1S/C17H23N3O2/c1-17(2)8-13-12(14(21)9-17)10-18-16(19-13)20-15(22)11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H,18,19,20,22)
InChIKeyMBDYWOZBEJJCRE-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.15
Rot. Bonds2

About N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclohexanecarboxamide

N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclohexanecarboxamide (PubChem CID 6456185) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclohexanecarboxamide
PubChem CID6456185
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclohexanecarboxamide
SMILESCC1(C)CC(=O)c2cnc(NC(=O)C3CCCCC3)nc2C1
InChIInChI=1S/C17H23N3O2/c1-17(2)8-13-12(14(21)9-17)10-18-16(19-13)20-15(22)11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H,18,19,20,22)
InChIKeyMBDYWOZBEJJCRE-UHFFFAOYSA-N
XLogP3.15
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclohexanecarboxamide 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 N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclohexanecarboxamide (CID 6456185) is N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclohexanecarboxamide is CC1(C)CC(=O)c2cnc(NC(=O)C3CCCCC3)nc2C1.
What is the InChIKey of N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclohexanecarboxamide?
The InChIKey is MBDYWOZBEJJCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-17(2)8-13-12(14(21)9-17)10-18-16(19-13)20-15(22)11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H,18,19,20,22).
What are the key properties of N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclohexanecarboxamide?
N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclohexanecarboxamide has a molecular weight of 301.39 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 6456185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).