N-(3-hydroxybutyl)-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C15H20N2O3 — CID 111695611

IUPACN-(3-hydroxybutyl)-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCC(O)CCN(C)C(=O)C1CC(=O)Nc2ccccc21
InChIInChI=1S/C15H20N2O3/c1-10(18)7-8-17(2)15(20)12-9-14(19)16-13-6-4-3-5-11(12)13/h3-6,10,12,18H,7-9H2,1-2H3,(H,16,19)
InChIKeyXQQGOXSLQOBYMG-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.34
Rot. Bonds4

About N-(3-hydroxybutyl)-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-(3-hydroxybutyl)-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 111695611) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID111695611
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(3-hydroxybutyl)-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCC(O)CCN(C)C(=O)C1CC(=O)Nc2ccccc21
InChIInChI=1S/C15H20N2O3/c1-10(18)7-8-17(2)15(20)12-9-14(19)16-13-6-4-3-5-11(12)13/h3-6,10,12,18H,7-9H2,1-2H3,(H,16,19)
InChIKeyXQQGOXSLQOBYMG-UHFFFAOYSA-N
XLogP1.34
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4S,5S)-5-amino-N-butyl-4-hydroxy-2,7,7-trimethyl-9-oxo-9-(1,2,3,4-tetrahydroquinolin-1-yl)nonanamide
CID 23647855
N-Hydroxy-2-[1-(3-methyl-butyl)-2-oxo-1,2,3,4-tetrahydro-quinolin-3-yl]-acetamide
CID 11312326
2-(1-Cyclopropylmethyl-2-oxo-1,2,3,4-tetrahydro-quinolin-3-yl)-N-hydroxy-acetamide
CID 44283042
3-(2-Methylamino-ethyl)-1-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 44404182
N-benzyl-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanamide
CID 3596631
(+)-(r)-2-Oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 60156055
N-cyclopropyl-3-(2-oxo-1,2,3,4-tetrahydroquinolin-4-yl)propanamide
CID 3243350
1'-Methyl-1'H-spiro[piperidine-4,4'-quinolin]-2'(3'H)-one
CID 19366951
4-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 23359080
Carbostyril, 3,4-dihydro-1-(2-(dimethylamino)ethyl)-, hydrochloride
CID 18228
4-(Aminomethyl)-1,2,3,4-tetrahydroquinolin-2-one
CID 71758744
N-[4-(dimethylamino)phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17526395

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 111695611) is N-(3-hydroxybutyl)-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is CC(O)CCN(C)C(=O)C1CC(=O)Nc2ccccc21.
What is the InChIKey of N-(3-hydroxybutyl)-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is XQQGOXSLQOBYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(18)7-8-17(2)15(20)12-9-14(19)16-13-6-4-3-5-11(12)13/h3-6,10,12,18H,7-9H2,1-2H3,(H,16,19).
What are the key properties of N-(3-hydroxybutyl)-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-(3-hydroxybutyl)-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 111695611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).