3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide

C23H25N3O4S — CID 55433139

IUPAC3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
SMILESCC(NC(=O)CCc1nc2ccccc2c(=O)n1C1CC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C23H25N3O4S/c1-15(16-7-11-18(12-8-16)31(2,29)30)24-22(27)14-13-21-25-20-6-4-3-5-19(20)23(28)26(21)17-9-10-17/h3-8,11-12,15,17H,9-10,13-14H2,1-2H3,(H,24,27)
InChIKeyLOWWTKZCJLDDAN-UHFFFAOYSA-N
MW439.54 g/mol
LogP2.94
Rot. Bonds7

About 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide

3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide (PubChem CID 55433139) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
PubChem CID55433139
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
SMILESCC(NC(=O)CCc1nc2ccccc2c(=O)n1C1CC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C23H25N3O4S/c1-15(16-7-11-18(12-8-16)31(2,29)30)24-22(27)14-13-21-25-20-6-4-3-5-19(20)23(28)26(21)17-9-10-17/h3-8,11-12,15,17H,9-10,13-14H2,1-2H3,(H,24,27)
InChIKeyLOWWTKZCJLDDAN-UHFFFAOYSA-N
XLogP2.94
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoic acid
CID 7131753
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 55360146
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 55466640
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 55382643
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 55359950
(2-methoxy-2-oxoethyl) 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoate
CID 43050906
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(9H-xanthen-9-yl)propanamide
CID 56547700
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide
CID 55515218
2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 8981367
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(2-phenylpyrimidin-5-yl)propanamide
CID 134009414
2-(2,4-dimethylquinolin-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 55433228
methyl 2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 56580760

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide?
The IUPAC name of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide (CID 55433139) is 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide is CC(NC(=O)CCc1nc2ccccc2c(=O)n1C1CC1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide?
The InChIKey is LOWWTKZCJLDDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-15(16-7-11-18(12-8-16)31(2,29)30)24-22(27)14-13-21-25-20-6-4-3-5-19(20)23(28)26(21)17-9-10-17/h3-8,11-12,15,17H,9-10,13-14H2,1-2H3,(H,24,27).
What are the key properties of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide?
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide has a molecular weight of 439.54 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide is sourced from PubChem (CID 55433139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).