N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(5-phenylfuran-2-yl)propanamide

C24H23N3O3 — CID 135821176

IUPACN-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(5-phenylfuran-2-yl)propanamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1ccc(-c2ccccc2)o1
InChIInChI=1S/C24H23N3O3/c1-2-27(16-22-25-20-11-7-6-10-19(20)24(29)26-22)23(28)15-13-18-12-14-21(30-18)17-8-4-3-5-9-17/h3-12,14H,2,13,15-16H2,1H3,(H,25,26,29)
InChIKeyLRSJMEQLAHGOGU-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.16
Rot. Bonds7

About N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(5-phenylfuran-2-yl)propanamide

N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(5-phenylfuran-2-yl)propanamide (PubChem CID 135821176) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(5-phenylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(5-phenylfuran-2-yl)propanamide
PubChem CID135821176
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(5-phenylfuran-2-yl)propanamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1ccc(-c2ccccc2)o1
InChIInChI=1S/C24H23N3O3/c1-2-27(16-22-25-20-11-7-6-10-19(20)24(29)26-22)23(28)15-13-18-12-14-21(30-18)17-8-4-3-5-9-17/h3-12,14H,2,13,15-16H2,1H3,(H,25,26,29)
InChIKeyLRSJMEQLAHGOGU-UHFFFAOYSA-N
XLogP4.16
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide
CID 137100232
2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride
CID 146086015
N,5-diethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide
CID 135896382
N-ethyl-3-indol-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135821181
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-propylpropanamide
CID 137286519
3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135821063
4-(2,5-dimethylphenyl)-N-ethyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide
CID 135821079
3-amino-N-ethyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 137125127
N-ethyl-2-(1-hydroxycyclopentyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 136821194
5-bromo-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide
CID 135893606
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(thiophen-2-ylmethyl)butanamide
CID 135429075
N-ethyl-3-(3-methylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135821067

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(5-phenylfuran-2-yl)propanamide?
The IUPAC name of N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(5-phenylfuran-2-yl)propanamide (CID 135821176) is N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(5-phenylfuran-2-yl)propanamide.
What is the SMILES notation for N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(5-phenylfuran-2-yl)propanamide?
The canonical SMILES for N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(5-phenylfuran-2-yl)propanamide is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1ccc(-c2ccccc2)o1.
What is the InChIKey of N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(5-phenylfuran-2-yl)propanamide?
The InChIKey is LRSJMEQLAHGOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-2-27(16-22-25-20-11-7-6-10-19(20)24(29)26-22)23(28)15-13-18-12-14-21(30-18)17-8-4-3-5-9-17/h3-12,14H,2,13,15-16H2,1H3,(H,25,26,29).
What are the key properties of N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(5-phenylfuran-2-yl)propanamide?
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(5-phenylfuran-2-yl)propanamide has a molecular weight of 401.47 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(5-phenylfuran-2-yl)propanamide is sourced from PubChem (CID 135821176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).