2-butyl-N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclopropane-1-carboxamide

C18H25N3O2 — CID 615629

IUPAC2-butyl-N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclopropane-1-carboxamide
SMILESCCCCC1CC1C(=O)Nc1ncc2c(n1)CC(C)(C)CC2=O
InChIInChI=1S/C18H25N3O2/c1-4-5-6-11-7-12(11)16(23)21-17-19-10-13-14(20-17)8-18(2,3)9-15(13)22/h10-12H,4-9H2,1-3H3,(H,19,20,21,23)
InChIKeyYXFSGQZUFNKPCQ-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.40
Rot. Bonds5

About 2-butyl-N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclopropane-1-carboxamide

2-butyl-N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclopropane-1-carboxamide (PubChem CID 615629) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-butyl-N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-butyl-N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclopropane-1-carboxamide
PubChem CID615629
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-butyl-N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclopropane-1-carboxamide
SMILESCCCCC1CC1C(=O)Nc1ncc2c(n1)CC(C)(C)CC2=O
InChIInChI=1S/C18H25N3O2/c1-4-5-6-11-7-12(11)16(23)21-17-19-10-13-14(20-17)8-18(2,3)9-15(13)22/h10-12H,4-9H2,1-3H3,(H,19,20,21,23)
InChIKeyYXFSGQZUFNKPCQ-UHFFFAOYSA-N
XLogP3.40
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-butyl-N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclopropane-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 3137930
2-Amino-5,6,7,8-tetrahydroquinazolin-5-one
CID 5200220
N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide
CID 666596
N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-3-phenylpropanamide
CID 683031
N-[(2Z)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2(1H)-ylidene]pentanamide
CID 1594930
2-(Cyclopentylamino)-7,7-dimethyl-6,7,8-trihydroquinazolin-5-one
CID 899236
2-(Cyclopropylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 939072
2-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 2772366
2-amino-7-methyl-7,8-dihydroquinazolin-5(6H)-one
CID 3426161
N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-4-yl)-3-methylbutanamide
CID 658911
2-Oxo-2-[(5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)amino]ethyl diethylcarbamodithioate
CID 3896874
7-methyl-2-[(4-methylcyclohexyl)amino]-7,8-dihydro-6H-quinazolin-5-one
CID 57389235

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2-butyl-N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclopropane-1-carboxamide (CID 615629) is 2-butyl-N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-butyl-N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-butyl-N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclopropane-1-carboxamide is CCCCC1CC1C(=O)Nc1ncc2c(n1)CC(C)(C)CC2=O.
What is the InChIKey of 2-butyl-N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclopropane-1-carboxamide?
The InChIKey is YXFSGQZUFNKPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-4-5-6-11-7-12(11)16(23)21-17-19-10-13-14(20-17)8-18(2,3)9-15(13)22/h10-12H,4-9H2,1-3H3,(H,19,20,21,23).
What are the key properties of 2-butyl-N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclopropane-1-carboxamide?
2-butyl-N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclopropane-1-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 615629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).