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

C19H28N4O3 — CID 91925206

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
SMILESCOCCN1C(=O)CCC2(C(=O)NCc3c(C)n[nH]c3C)CCCC=C12
InChIInChI=1S/C19H28N4O3/c1-13-15(14(2)22-21-13)12-20-18(25)19-8-5-4-6-16(19)23(10-11-26-3)17(24)7-9-19/h6H,4-5,7-12H2,1-3H3,(H,20,25)(H,21,22)
InChIKeyHELMOCZWKBMJHI-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.97
Rot. Bonds6

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

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide (PubChem CID 91925206) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
PubChem CID91925206
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
SMILESCOCCN1C(=O)CCC2(C(=O)NCc3c(C)n[nH]c3C)CCCC=C12
InChIInChI=1S/C19H28N4O3/c1-13-15(14(2)22-21-13)12-20-18(25)19-8-5-4-6-16(19)23(10-11-26-3)17(24)7-9-19/h6H,4-5,7-12H2,1-3H3,(H,20,25)(H,21,22)
InChIKeyHELMOCZWKBMJHI-UHFFFAOYSA-N
XLogP1.97
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-[(5-Tert-butyl-1H-pyrazol-3-YL)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70770274
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
N-[(3,5-Dimethyl-1H-pyrazol-4-YL)methyl]-1-ethyl-2-oxo-1,2,3,4,4A,5,6,7-octahydroquinoline-4A-carboxamide
CID 91925186
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
1-(2-methoxyethyl)-N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-3-piperidinecarboxamide
CID 45200150
5-(3-Ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-1-(2-methoxyethyl)piperidin-2-one
CID 45245858
3-(4,5-Dimethyl-1H-pyrazol-3-YL)-N-{[1-(morpholin-4-ylmethyl)cyclopropyl]methyl}propanamide
CID 118779213
(3S)-1-(2-methoxyethyl)-N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide
CID 30956985
(3R)-1-(2-methoxyethyl)-N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide
CID 30956988
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2-methoxyethyl)-N-methyl-6-oxo-3-piperidinecarboxamide
CID 45196687
2-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72863541
8-[3-(4,5-Dimethyl-1H-pyrazol-3-YL)propanoyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72868644

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)-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-(2-methoxyethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide (CID 91925206) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)-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-(2-methoxyethyl)-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-(2-methoxyethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide is COCCN1C(=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-(2-methoxyethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The InChIKey is HELMOCZWKBMJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-13-15(14(2)22-21-13)12-20-18(25)19-8-5-4-6-16(19)23(10-11-26-3)17(24)7-9-19/h6H,4-5,7-12H2,1-3H3,(H,20,25)(H,21,22).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide is sourced from PubChem (CID 91925206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).