N-cyclopropyl-N-(2-methylpropyl)-2-(6-methylsulfonyl-4-oxoquinazolin-3-yl)acetamide

C18H23N3O4S — CID 167771031

IUPACN-cyclopropyl-N-(2-methylpropyl)-2-(6-methylsulfonyl-4-oxoquinazolin-3-yl)acetamide
SMILESCC(C)CN(C(=O)Cn1cnc2ccc(S(C)(=O)=O)cc2c1=O)C1CC1
InChIInChI=1S/C18H23N3O4S/c1-12(2)9-21(13-4-5-13)17(22)10-20-11-19-16-7-6-14(26(3,24)25)8-15(16)18(20)23/h6-8,11-13H,4-5,9-10H2,1-3H3
InChIKeyPPNBGHUHXOCTGY-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.45
Rot. Bonds6

About N-cyclopropyl-N-(2-methylpropyl)-2-(6-methylsulfonyl-4-oxoquinazolin-3-yl)acetamide

N-cyclopropyl-N-(2-methylpropyl)-2-(6-methylsulfonyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 167771031) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-methylpropyl)-2-(6-methylsulfonyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-methylpropyl)-2-(6-methylsulfonyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID167771031
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC NameN-cyclopropyl-N-(2-methylpropyl)-2-(6-methylsulfonyl-4-oxoquinazolin-3-yl)acetamide
SMILESCC(C)CN(C(=O)Cn1cnc2ccc(S(C)(=O)=O)cc2c1=O)C1CC1
InChIInChI=1S/C18H23N3O4S/c1-12(2)9-21(13-4-5-13)17(22)10-20-11-19-16-7-6-14(26(3,24)25)8-15(16)18(20)23/h6-8,11-13H,4-5,9-10H2,1-3H3
InChIKeyPPNBGHUHXOCTGY-UHFFFAOYSA-N
XLogP1.45
TPSA89.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-cyclopropylamino]propanoic acid
CID 122067087
N,N-dicyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide
CID 46484188
2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopropyl-N-ethylacetamide
CID 78961116
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(3-methylsulfonylphenyl)acetamide
CID 9355991
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 7628299
N-cyclopropyl-2-(4-oxoquinazolin-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 35753654
6-fluoro-3-[2-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 30837290
ethyl 2-[[2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetyl]amino]acetate
CID 3245220
N-[(1R)-1-cyclopropylethyl]-2-(4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 7998928
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(1-cyclopropylethyl)acetamide
CID 51216214
N-(cyclohexen-1-yl)-N-cyclopropyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 8522457
3-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopentyl-N-ethylpropanamide
CID 134061062

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2-methylpropyl)-2-(6-methylsulfonyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-cyclopropyl-N-(2-methylpropyl)-2-(6-methylsulfonyl-4-oxoquinazolin-3-yl)acetamide (CID 167771031) is N-cyclopropyl-N-(2-methylpropyl)-2-(6-methylsulfonyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-N-(2-methylpropyl)-2-(6-methylsulfonyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-cyclopropyl-N-(2-methylpropyl)-2-(6-methylsulfonyl-4-oxoquinazolin-3-yl)acetamide is CC(C)CN(C(=O)Cn1cnc2ccc(S(C)(=O)=O)cc2c1=O)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(2-methylpropyl)-2-(6-methylsulfonyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is PPNBGHUHXOCTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-12(2)9-21(13-4-5-13)17(22)10-20-11-19-16-7-6-14(26(3,24)25)8-15(16)18(20)23/h6-8,11-13H,4-5,9-10H2,1-3H3.
What are the key properties of N-cyclopropyl-N-(2-methylpropyl)-2-(6-methylsulfonyl-4-oxoquinazolin-3-yl)acetamide?
N-cyclopropyl-N-(2-methylpropyl)-2-(6-methylsulfonyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 377.47 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2-methylpropyl)-2-(6-methylsulfonyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 167771031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).