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

C18H26N4O3 — CID 91925207

IUPAC1-(2-methoxyethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
SMILESCOCCN1C(=O)CCC2(C(=O)NCc3cn[nH]c3C)CCCC=C12
InChIInChI=1S/C18H26N4O3/c1-13-14(12-20-21-13)11-19-17(24)18-7-4-3-5-15(18)22(9-10-25-2)16(23)6-8-18/h5,12H,3-4,6-11H2,1-2H3,(H,19,24)(H,20,21)
InChIKeyHGAGVMKIZIKESF-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.66
Rot. Bonds6

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

1-(2-methoxyethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide (PubChem CID 91925207) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
PubChem CID91925207
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name1-(2-methoxyethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
SMILESCOCCN1C(=O)CCC2(C(=O)NCc3cn[nH]c3C)CCCC=C12
InChIInChI=1S/C18H26N4O3/c1-13-14(12-20-21-13)11-19-17(24)18-7-4-3-5-15(18)22(9-10-25-2)16(23)6-8-18/h5,12H,3-4,6-11H2,1-2H3,(H,19,24)(H,20,21)
InChIKeyHGAGVMKIZIKESF-UHFFFAOYSA-N
XLogP1.66
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
trans-(1S,5R)-5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methoxyethyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 147045920
5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-1-N,3-N-bis(2-methoxyethyl)-2,2-dimethylcyclohexane-1,3-dicarboxamide
CID 148598173
cis-(1R,3S)-5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-1-N,3-N-bis(2-methoxyethyl)-2,2-dimethylcyclohexane-1,3-dicarboxamide
CID 148598174
(1R)-5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methoxyethyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 157287157
cis-(1S,5S)-5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methoxyethyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 157287158
3-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 53508543
3-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 60977456
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-propylpiperidine-3-carboxamide
CID 63131561
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-propylpiperidine-3-carboxamide
CID 63135321

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide (CID 91925207) is 1-(2-methoxyethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide is COCCN1C(=O)CCC2(C(=O)NCc3cn[nH]c3C)CCCC=C12.
What is the InChIKey of 1-(2-methoxyethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The InChIKey is HGAGVMKIZIKESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-13-14(12-20-21-13)11-19-17(24)18-7-4-3-5-15(18)22(9-10-25-2)16(23)6-8-18/h5,12H,3-4,6-11H2,1-2H3,(H,19,24)(H,20,21).
What are the key properties of 1-(2-methoxyethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
1-(2-methoxyethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide is sourced from PubChem (CID 91925207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).