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

C19H21N3O3S — CID 135569898

IUPACN-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-thiophen-3-ylpropanamide
SMILESCOCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1ccsc1
InChIInChI=1S/C19H21N3O3S/c1-25-10-9-22(18(23)7-6-14-8-11-26-13-14)12-17-20-16-5-3-2-4-15(16)19(24)21-17/h2-5,8,11,13H,6-7,9-10,12H2,1H3,(H,20,21,24)
InChIKeyBHABXYJOYKOPOJ-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.59
Rot. Bonds8

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

N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-thiophen-3-ylpropanamide (PubChem CID 135569898) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-thiophen-3-ylpropanamide
PubChem CID135569898
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-thiophen-3-ylpropanamide
SMILESCOCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1ccsc1
InChIInChI=1S/C19H21N3O3S/c1-25-10-9-22(18(23)7-6-14-8-11-26-13-14)12-17-20-16-5-3-2-4-15(16)19(24)21-17/h2-5,8,11,13H,6-7,9-10,12H2,1H3,(H,20,21,24)
InChIKeyBHABXYJOYKOPOJ-UHFFFAOYSA-N
XLogP2.59
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-thiophen-2-ylbutanamide
CID 135665197
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-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide
CID 135909619
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
N-(2-methoxyethyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135737950
N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-2-carboxamide
CID 135848512
N-(2-methoxyethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135857679
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]quinoxaline-2-carboxamide
CID 135819529
N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 135722240

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-thiophen-3-ylpropanamide?
The IUPAC name of N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-thiophen-3-ylpropanamide (CID 135569898) is N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-thiophen-3-ylpropanamide is COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1ccsc1.
What is the InChIKey of N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-thiophen-3-ylpropanamide?
The InChIKey is BHABXYJOYKOPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-25-10-9-22(18(23)7-6-14-8-11-26-13-14)12-17-20-16-5-3-2-4-15(16)19(24)21-17/h2-5,8,11,13H,6-7,9-10,12H2,1H3,(H,20,21,24).
What are the key properties of N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-thiophen-3-ylpropanamide?
N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-thiophen-3-ylpropanamide has a molecular weight of 371.46 g/mol, XLogP of 2.59, 8 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]-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 135569898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).