N-(1-methoxypentan-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

C16H22N2O3 — CID 102712434

IUPACN-(1-methoxypentan-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCCCC(COC)NC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C16H22N2O3/c1-3-4-13(10-21-2)17-16(20)12-5-7-14-11(9-12)6-8-15(19)18-14/h5,7,9,13H,3-4,6,8,10H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyIMBUCBQJYFDGNP-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.12
Rot. Bonds6

About N-(1-methoxypentan-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

N-(1-methoxypentan-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 102712434) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(1-methoxypentan-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypentan-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID102712434
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(1-methoxypentan-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCCCC(COC)NC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C16H22N2O3/c1-3-4-13(10-21-2)17-16(20)12-5-7-14-11(9-12)6-8-15(19)18-14/h5,7,9,13H,3-4,6,8,10H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyIMBUCBQJYFDGNP-UHFFFAOYSA-N
XLogP2.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid
CID 102710812
4-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid
CID 120703080
N-(2-methoxyethoxy)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103728105
N-(2-hydroxypentyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103770684
6-(2-propylpentanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 82984767
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
(2S)-3-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid
CID 102710665
3,3-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid
CID 102553283
N-(3-aminobutyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103806261
3-chloro-4-iodo-N-(1-methoxypentan-2-yl)benzamide
CID 103222118
N-(2-methyl-1-phenylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 24625536
N-(1-naphthalen-1-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 86911762

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypentan-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of N-(1-methoxypentan-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 102712434) is N-(1-methoxypentan-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-(1-methoxypentan-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for N-(1-methoxypentan-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is CCCC(COC)NC(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of N-(1-methoxypentan-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is IMBUCBQJYFDGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-4-13(10-21-2)17-16(20)12-5-7-14-11(9-12)6-8-15(19)18-14/h5,7,9,13H,3-4,6,8,10H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-(1-methoxypentan-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
N-(1-methoxypentan-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypentan-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 102712434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).