N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide

C23H23N3O3 — CID 137291968

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESCC(c1cc2ccccc2o1)N(C)C(=O)CCCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C23H23N3O3/c1-15(20-14-16-8-3-6-11-19(16)29-20)26(2)22(27)13-7-12-21-24-18-10-5-4-9-17(18)23(28)25-21/h3-6,8-11,14-15H,7,12-13H2,1-2H3,(H,24,25,28)
InChIKeyGVPQOZQLLIMIJH-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.21
Rot. Bonds6

About N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide

N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide (PubChem CID 137291968) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
PubChem CID137291968
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESCC(c1cc2ccccc2o1)N(C)C(=O)CCCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C23H23N3O3/c1-15(20-14-16-8-3-6-11-19(16)29-20)26(2)22(27)13-7-12-21-24-18-10-5-4-9-17(18)23(28)25-21/h3-6,8-11,14-15H,7,12-13H2,1-2H3,(H,24,25,28)
InChIKeyGVPQOZQLLIMIJH-UHFFFAOYSA-N
XLogP4.21
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(1-benzofuran-2-yl)ethyl]-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

N-(1-aminopropan-2-yl)-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137122484
N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135901571
2-[2-methylpropyl-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]amino]acetic acid
CID 136990420
N-[(2,4-difluorophenyl)methyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137278099
3-[1-(1-benzofuran-2-yl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049773
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 46551064
N-methyl-4-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenoxyethyl)butanamide
CID 135976954
4-(4-oxo-3H-quinazolin-2-yl)-N,N-bis(prop-2-enyl)butanamide
CID 137306035
2-propan-2-yloxyethyl 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 137300073
N-[(2S)-1-aminopropan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137024790
N-[1-(1-benzofuran-2-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)-N-methylpropanamide
CID 154771364
N-[(4-cyanophenyl)methyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137308282

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide (CID 137291968) is N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide is CC(c1cc2ccccc2o1)N(C)C(=O)CCCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The InChIKey is GVPQOZQLLIMIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-15(20-14-16-8-3-6-11-19(16)29-20)26(2)22(27)13-7-12-21-24-18-10-5-4-9-17(18)23(28)25-21/h3-6,8-11,14-15H,7,12-13H2,1-2H3,(H,24,25,28).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide has a molecular weight of 389.46 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide is sourced from PubChem (CID 137291968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).