N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide

C18H26N4O2 — CID 91925186

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
SMILESCCN1C(=O)CCC2(C(=O)NCc3c(C)n[nH]c3C)CCCC=C12
InChIInChI=1S/C18H26N4O2/c1-4-22-15-7-5-6-9-18(15,10-8-16(22)23)17(24)19-11-14-12(2)20-21-13(14)3/h7H,4-6,8-11H2,1-3H3,(H,19,24)(H,20,21)
InChIKeyHHRNQDFYIDCSOX-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.34
Rot. Bonds4

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide (PubChem CID 91925186) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
PubChem CID91925186
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
SMILESCCN1C(=O)CCC2(C(=O)NCc3c(C)n[nH]c3C)CCCC=C12
InChIInChI=1S/C18H26N4O2/c1-4-22-15-7-5-6-9-18(15,10-8-16(22)23)17(24)19-11-14-12(2)20-21-13(14)3/h7H,4-6,8-11H2,1-3H3,(H,19,24)(H,20,21)
InChIKeyHHRNQDFYIDCSOX-UHFFFAOYSA-N
XLogP2.34
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexylmethyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-oxo-3-piperidinecarboxamide
CID 24790910
1-(cyclohexylmethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 24818911
1-(cyclohexylmethyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 45236786
1-(2-methoxyethyl)-N~4a~-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-1,3,4,5,6,7-hexahydro-4a(2H)-quinolinecarboxamide
CID 91925207
6-(3,5-dimethyl-1H-pyrazol-4-yl)piperidin-2-one
CID 112488695
2-(Cyclopropylmethyl)-9-[3-(4,5-dimethyl-1H-pyrazol-3-YL)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72877405
2-[3-(4,5-Dimethyl-1H-pyrazol-3-YL)propanoyl]-7-ethyl-2,7-diazaspiro[4.5]decan-6-one
CID 72926411
1-cyclopentyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-oxo-1,3,4,5,6,7-hexahydro-4a(2H)-quinolinecarboxamide
CID 91925196
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
CID 91925206
1-benzyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-oxo-1,3,4,5,6,7-hexahydro-4a(2H)-quinolinecarboxamide
CID 91925218
3-(3,5-Dimethyl-1H-pyrazol-1-YL)-N-[(2-oxo-1,2,3,4,4A,5,6,7-octahydroquinolin-4A-YL)methyl]propanamide
CID 124073409
(6R)-8-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96398343

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide (CID 91925186) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide is CCN1C(=O)CCC2(C(=O)NCc3c(C)n[nH]c3C)CCCC=C12.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The InChIKey is HHRNQDFYIDCSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-4-22-15-7-5-6-9-18(15,10-8-16(22)23)17(24)19-11-14-12(2)20-21-13(14)3/h7H,4-6,8-11H2,1-3H3,(H,19,24)(H,20,21).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide is sourced from PubChem (CID 91925186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).