N-[(4-cyanophenyl)methyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide

C21H20N4O2 — CID 137308282

IUPACN-[(4-cyanophenyl)methyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)CCCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C21H20N4O2/c1-25(14-16-11-9-15(13-22)10-12-16)20(26)8-4-7-19-23-18-6-3-2-5-17(18)21(27)24-19/h2-3,5-6,9-12H,4,7-8,14H2,1H3,(H,23,24,27)
InChIKeyQGETWEMPWKAWPR-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.78
Rot. Bonds6

About N-[(4-cyanophenyl)methyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide

N-[(4-cyanophenyl)methyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide (PubChem CID 137308282) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
PubChem CID137308282
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-[(4-cyanophenyl)methyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)CCCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C21H20N4O2/c1-25(14-16-11-9-15(13-22)10-12-16)20(26)8-4-7-19-23-18-6-3-2-5-17(18)21(27)24-19/h2-3,5-6,9-12H,4,7-8,14H2,1H3,(H,23,24,27)
InChIKeyQGETWEMPWKAWPR-UHFFFAOYSA-N
XLogP2.78
TPSA89.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-cyanophenyl)methyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide 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

methyl 4-[[methyl-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]amino]methyl]benzoate
CID 135915704
N-methyl-4-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenoxyethyl)butanamide
CID 135976954
N-[(2,4-difluorophenyl)methyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137278099
4-(4-oxo-3H-quinazolin-2-yl)-N,N-bis(prop-2-enyl)butanamide
CID 137306035
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135711264
N-(1-aminopropan-2-yl)-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137122484
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135972244
N-methyl-2-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135875449
2-[2-methylpropyl-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]amino]acetic acid
CID 136990420
[(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831692
N-methyl-2-methylsulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135951735
4-[4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperazin-1-yl]benzonitrile
CID 178142640

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide (CID 137308282) is N-[(4-cyanophenyl)methyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide is CN(Cc1ccc(C#N)cc1)C(=O)CCCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The InChIKey is QGETWEMPWKAWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-25(14-16-11-9-15(13-22)10-12-16)20(26)8-4-7-19-23-18-6-3-2-5-17(18)21(27)24-19/h2-3,5-6,9-12H,4,7-8,14H2,1H3,(H,23,24,27).
What are the key properties of N-[(4-cyanophenyl)methyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
N-[(4-cyanophenyl)methyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide has a molecular weight of 360.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide is sourced from PubChem (CID 137308282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).