2-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-3H-quinazolin-4-one

C17H21N3O — CID 135891186

IUPAC2-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-3H-quinazolin-4-one
SMILESCC(C1CC1)N(Cc1nc2ccccc2c(=O)[nH]1)C1CC1
InChIInChI=1S/C17H21N3O/c1-11(12-6-7-12)20(13-8-9-13)10-16-18-15-5-3-2-4-14(15)17(21)19-16/h2-5,11-13H,6-10H2,1H3,(H,18,19,21)
InChIKeyXMUSHXGIVUPPRY-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.69
Rot. Bonds5

About 2-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-3H-quinazolin-4-one

2-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-3H-quinazolin-4-one (PubChem CID 135891186) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-3H-quinazolin-4-one
PubChem CID135891186
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name2-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-3H-quinazolin-4-one
SMILESCC(C1CC1)N(Cc1nc2ccccc2c(=O)[nH]1)C1CC1
InChIInChI=1S/C17H21N3O/c1-11(12-6-7-12)20(13-8-9-13)10-16-18-15-5-3-2-4-14(15)17(21)19-16/h2-5,11-13H,6-10H2,1H3,(H,18,19,21)
InChIKeyXMUSHXGIVUPPRY-UHFFFAOYSA-N
XLogP2.69
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-3H-quinazolin-4-one 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-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 46444147
6-[[cyclopropyl-[(1R)-1-cyclopropylethyl]amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136706970
2-[[cycloheptyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 135850085
2-[[methyl-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]methyl]-3H-quinazolin-4-one
CID 135854712
2-[[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-3H-quinazolin-4-one
CID 135889564
2-[[(2-hydroxy-2-piperidin-4-ylethyl)-methylamino]methyl]-3H-quinazolin-4-one;dihydrochloride
CID 154924279
2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one
CID 162424449
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide
CID 135962185
N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide
CID 135429091
1-cyclopentyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea
CID 135481243
2-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]methyl]-3H-quinazolin-4-one
CID 135914752
1-ethylsulfonyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 135903946

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-3H-quinazolin-4-one (CID 135891186) is 2-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-3H-quinazolin-4-one is CC(C1CC1)N(Cc1nc2ccccc2c(=O)[nH]1)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-3H-quinazolin-4-one?
The InChIKey is XMUSHXGIVUPPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11(12-6-7-12)20(13-8-9-13)10-16-18-15-5-3-2-4-14(15)17(21)19-16/h2-5,11-13H,6-10H2,1H3,(H,18,19,21).
What are the key properties of 2-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-3H-quinazolin-4-one?
2-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-3H-quinazolin-4-one has a molecular weight of 283.37 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135891186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).