N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-propan-2-yloxybenzamide

C24H30N2O3 — CID 16927194

IUPACN-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-propan-2-yloxybenzamide
SMILESCC(C)CCN1C(=O)CCc2cc(NC(=O)c3ccc(OC(C)C)cc3)ccc21
InChIInChI=1S/C24H30N2O3/c1-16(2)13-14-26-22-11-8-20(15-19(22)7-12-23(26)27)25-24(28)18-5-9-21(10-6-18)29-17(3)4/h5-6,8-11,15-17H,7,12-14H2,1-4H3,(H,25,28)
InChIKeyJNGUZLBPMIDYBO-UHFFFAOYSA-N
MW394.52 g/mol
LogP5.05
Rot. Bonds7

About N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-propan-2-yloxybenzamide

N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-propan-2-yloxybenzamide (PubChem CID 16927194) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-propan-2-yloxybenzamide
PubChem CID16927194
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-propan-2-yloxybenzamide
SMILESCC(C)CCN1C(=O)CCc2cc(NC(=O)c3ccc(OC(C)C)cc3)ccc21
InChIInChI=1S/C24H30N2O3/c1-16(2)13-14-26-22-11-8-20(15-19(22)7-12-23(26)27)25-24(28)18-5-9-21(10-6-18)29-17(3)4/h5-6,8-11,15-17H,7,12-14H2,1-4H3,(H,25,28)
InChIKeyJNGUZLBPMIDYBO-UHFFFAOYSA-N
XLogP5.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-propan-2-yloxybenzamide (CID 16927194) is N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-propan-2-yloxybenzamide is CC(C)CCN1C(=O)CCc2cc(NC(=O)c3ccc(OC(C)C)cc3)ccc21.
What is the InChIKey of N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-propan-2-yloxybenzamide?
The InChIKey is JNGUZLBPMIDYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-16(2)13-14-26-22-11-8-20(15-19(22)7-12-23(26)27)25-24(28)18-5-9-21(10-6-18)29-17(3)4/h5-6,8-11,15-17H,7,12-14H2,1-4H3,(H,25,28).
What are the key properties of N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-propan-2-yloxybenzamide?
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-propan-2-yloxybenzamide has a molecular weight of 394.52 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 16927194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).