4-(4,4-dimethyl-2-oxo-3H-quinolin-1-yl)-N-propan-2-ylbutanamide

C18H26N2O2 — CID 91938678

IUPAC4-(4,4-dimethyl-2-oxo-3H-quinolin-1-yl)-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CCCN1C(=O)CC(C)(C)c2ccccc21
InChIInChI=1S/C18H26N2O2/c1-13(2)19-16(21)10-7-11-20-15-9-6-5-8-14(15)18(3,4)12-17(20)22/h5-6,8-9,13H,7,10-12H2,1-4H3,(H,19,21)
InChIKeyHRSZONOPBAKIIU-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.01
Rot. Bonds5

About 4-(4,4-dimethyl-2-oxo-3H-quinolin-1-yl)-N-propan-2-ylbutanamide

4-(4,4-dimethyl-2-oxo-3H-quinolin-1-yl)-N-propan-2-ylbutanamide (PubChem CID 91938678) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-(4,4-dimethyl-2-oxo-3H-quinolin-1-yl)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-(4,4-dimethyl-2-oxo-3H-quinolin-1-yl)-N-propan-2-ylbutanamide
PubChem CID91938678
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name4-(4,4-dimethyl-2-oxo-3H-quinolin-1-yl)-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CCCN1C(=O)CC(C)(C)c2ccccc21
InChIInChI=1S/C18H26N2O2/c1-13(2)19-16(21)10-7-11-20-15-9-6-5-8-14(15)18(3,4)12-17(20)22/h5-6,8-9,13H,7,10-12H2,1-4H3,(H,19,21)
InChIKeyHRSZONOPBAKIIU-UHFFFAOYSA-N
XLogP3.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4,4-dimethyl-2-oxo-3H-quinolin-1-yl)-N-(4-methoxyphenyl)butanamide
CID 91938677
4-(3-oxo-1,4-benzoxazin-4-yl)-N-propan-2-ylbutanamide
CID 42787969
4,4-dimethyl-1-[4-[(2R)-2-methylpiperidin-1-yl]-4-oxobutyl]-3H-quinolin-2-one
CID 97458513
1-(3-methoxypropyl)-4,4-dimethyl-3H-quinolin-2-one
CID 68791500
4-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-propan-2-ylbutanamide
CID 8817641
4-(3-oxo-1,4-benzothiazin-4-yl)-N-[(1R)-1-phenylethyl]butanamide
CID 7416279
6-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide
CID 145323285
1,4,4-trimethyl-3H-quinolin-2-one
CID 14010251
4-(3-oxo-1,4-benzoxazin-4-yl)-N-(4-phenylbutan-2-yl)butanamide
CID 4653840
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-propan-2-ylacetamide
CID 95555970
diethyl 1-butyl-2-oxo-3H-quinoline-4,4-dicarboxylate
CID 135067401
1-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-4,4-dimethyl-3H-quinolin-2-one
CID 97458315

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethyl-2-oxo-3H-quinolin-1-yl)-N-propan-2-ylbutanamide?
The IUPAC name of 4-(4,4-dimethyl-2-oxo-3H-quinolin-1-yl)-N-propan-2-ylbutanamide (CID 91938678) is 4-(4,4-dimethyl-2-oxo-3H-quinolin-1-yl)-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-(4,4-dimethyl-2-oxo-3H-quinolin-1-yl)-N-propan-2-ylbutanamide?
The canonical SMILES for 4-(4,4-dimethyl-2-oxo-3H-quinolin-1-yl)-N-propan-2-ylbutanamide is CC(C)NC(=O)CCCN1C(=O)CC(C)(C)c2ccccc21.
What is the InChIKey of 4-(4,4-dimethyl-2-oxo-3H-quinolin-1-yl)-N-propan-2-ylbutanamide?
The InChIKey is HRSZONOPBAKIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13(2)19-16(21)10-7-11-20-15-9-6-5-8-14(15)18(3,4)12-17(20)22/h5-6,8-9,13H,7,10-12H2,1-4H3,(H,19,21).
What are the key properties of 4-(4,4-dimethyl-2-oxo-3H-quinolin-1-yl)-N-propan-2-ylbutanamide?
4-(4,4-dimethyl-2-oxo-3H-quinolin-1-yl)-N-propan-2-ylbutanamide has a molecular weight of 302.42 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethyl-2-oxo-3H-quinolin-1-yl)-N-propan-2-ylbutanamide is sourced from PubChem (CID 91938678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).