N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-thiophen-2-ylbutanamide

C20H23N3O3S — CID 135665197

IUPACN-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-thiophen-2-ylbutanamide
SMILESCOCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCCc1cccs1
InChIInChI=1S/C20H23N3O3S/c1-26-12-11-23(19(24)10-4-6-15-7-5-13-27-15)14-18-21-17-9-3-2-8-16(17)20(25)22-18/h2-3,5,7-9,13H,4,6,10-12,14H2,1H3,(H,21,22,25)
InChIKeyVWOKAMDPSQHODH-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.98
Rot. Bonds9

About N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-thiophen-2-ylbutanamide

N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-thiophen-2-ylbutanamide (PubChem CID 135665197) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-thiophen-2-ylbutanamide
PubChem CID135665197
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-thiophen-2-ylbutanamide
SMILESCOCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCCc1cccs1
InChIInChI=1S/C20H23N3O3S/c1-26-12-11-23(19(24)10-4-6-15-7-5-13-27-15)14-18-21-17-9-3-2-8-16(17)20(25)22-18/h2-3,5,7-9,13H,4,6,10-12,14H2,1H3,(H,21,22,25)
InChIKeyVWOKAMDPSQHODH-UHFFFAOYSA-N
XLogP2.98
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-thiophen-2-ylbutanamide 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-benzyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-thiophen-2-ylbutanamide
CID 135767267
N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-thiophen-3-ylpropanamide
CID 135569898
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(thiophen-2-ylmethyl)butanamide
CID 135429075
N-benzyl-N-(2-methoxyethyl)-4-thiophen-2-ylbutanamide
CID 78781430
N-(2-methoxyethyl)-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide
CID 135909619
2-(2-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135722281
N-(2-methoxyethyl)-2-(2-methoxyphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135665194
N-(2-methoxyethyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135737950
N-(2-methoxyethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135599065
N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-2-carboxamide
CID 135848512
2-(3-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135848546
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135854773

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-thiophen-2-ylbutanamide (CID 135665197) is N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-thiophen-2-ylbutanamide is COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCCc1cccs1.
What is the InChIKey of N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-thiophen-2-ylbutanamide?
The InChIKey is VWOKAMDPSQHODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-26-12-11-23(19(24)10-4-6-15-7-5-13-27-15)14-18-21-17-9-3-2-8-16(17)20(25)22-18/h2-3,5,7-9,13H,4,6,10-12,14H2,1H3,(H,21,22,25).
What are the key properties of N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-thiophen-2-ylbutanamide?
N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-thiophen-2-ylbutanamide has a molecular weight of 385.49 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 135665197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).