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

C12H15N3O2 — CID 135476805

IUPACN-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)cyclopropanecarboxamide
SMILESO=C(Nc1nc2c(c(=O)[nH]1)CCCC2)C1CC1
InChIInChI=1S/C12H15N3O2/c16-10(7-5-6-7)14-12-13-9-4-2-1-3-8(9)11(17)15-12/h7H,1-6H2,(H2,13,14,15,16,17)
InChIKeyNFSOIOKNJWDWBC-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.00
Rot. Bonds2

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

N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)cyclopropanecarboxamide (PubChem CID 135476805) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)cyclopropanecarboxamide
PubChem CID135476805
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)cyclopropanecarboxamide
SMILESO=C(Nc1nc2c(c(=O)[nH]1)CCCC2)C1CC1
InChIInChI=1S/C12H15N3O2/c16-10(7-5-6-7)14-12-13-9-4-2-1-3-8(9)11(17)15-12/h7H,1-6H2,(H2,13,14,15,16,17)
InChIKeyNFSOIOKNJWDWBC-UHFFFAOYSA-N
XLogP1.00
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)cyclopropanecarboxamide 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

2-Amino-5,6,7,8-Tetrahydro-4-Quinazolinol
CID 135504743
3-methyl-N-(4-oxo-3,4,5,6,7,8-hexahydro-2-quinazolinyl)butanamide
CID 135476804
N-(4-oxo-3,4,5,6,7,8-hexahydro-2-quinazolinyl)propanamide
CID 135472898
2,2-dimethyl-N-(4-oxo-3,4,5,6,7,8-hexahydro-2-quinazolinyl)propanamide
CID 135439623
(4-Oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)thiourea
CID 135537937
2-methyl-N-(4-oxo-3,4,5,6,7,8-hexahydro-2-quinazolinyl)propanamide
CID 135439622
N-(4-oxo-3,4,5,6,7,8-hexahydro-2-quinazolinyl)butanamide
CID 135470038
2-amino-6-methyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136023331
4-Pyrimidinol, 2-amino-5-hexyl-6-methyl-
CID 135449438
4H-Cycloheptapyrimidin-4-one, 2-amino-3,5,6,7,8,9-hexahydro-
CID 135975289
2-Amino-5,6,7,8,9,10-hexahydrocycloocta (d) pyrimidin-4-ol
CID 136046085
4-Pyrimidinol, 2-amino-6-methyl-5-octyl-
CID 135447488

Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)cyclopropanecarboxamide?
The IUPAC name of N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)cyclopropanecarboxamide (CID 135476805) is N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)cyclopropanecarboxamide is O=C(Nc1nc2c(c(=O)[nH]1)CCCC2)C1CC1.
What is the InChIKey of N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)cyclopropanecarboxamide?
The InChIKey is NFSOIOKNJWDWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c16-10(7-5-6-7)14-12-13-9-4-2-1-3-8(9)11(17)15-12/h7H,1-6H2,(H2,13,14,15,16,17).
What are the key properties of N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)cyclopropanecarboxamide?
N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)cyclopropanecarboxamide has a molecular weight of 233.27 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)cyclopropanecarboxamide is sourced from PubChem (CID 135476805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).