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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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).