N-methyl-2-oxo-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C22H24N4O2 — CID 97446078

IUPACN-methyl-2-oxo-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESC[C@@H](c1cc(-c2ccccc2)n[nH]1)N(C)C(=O)c1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C22H24N4O2/c1-14(19-13-20(25-24-19)15-8-4-3-5-9-15)26(2)22(28)17-12-16-10-6-7-11-18(16)23-21(17)27/h3-5,8-9,12-14H,6-7,10-11H2,1-2H3,(H,23,27)(H,24,25)/t14-/m0/s1
InChIKeySCWRQYPXDJGWKZ-AWEZNQCLSA-N
MW376.46 g/mol
LogP3.48
Rot. Bonds4

About N-methyl-2-oxo-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

N-methyl-2-oxo-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 97446078) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-methyl-2-oxo-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-oxo-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID97446078
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-methyl-2-oxo-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESC[C@@H](c1cc(-c2ccccc2)n[nH]1)N(C)C(=O)c1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C22H24N4O2/c1-14(19-13-20(25-24-19)15-8-4-3-5-9-15)26(2)22(28)17-12-16-10-6-7-11-18(16)23-21(17)27/h3-5,8-9,12-14H,6-7,10-11H2,1-2H3,(H,23,27)(H,24,25)/t14-/m0/s1
InChIKeySCWRQYPXDJGWKZ-AWEZNQCLSA-N
XLogP3.48
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-methyl-2-oxo-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 97446078) is N-methyl-2-oxo-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-methyl-2-oxo-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-methyl-2-oxo-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is C[C@@H](c1cc(-c2ccccc2)n[nH]1)N(C)C(=O)c1cc2c([nH]c1=O)CCCC2.
What is the InChIKey of N-methyl-2-oxo-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is SCWRQYPXDJGWKZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14(19-13-20(25-24-19)15-8-4-3-5-9-15)26(2)22(28)17-12-16-10-6-7-11-18(16)23-21(17)27/h3-5,8-9,12-14H,6-7,10-11H2,1-2H3,(H,23,27)(H,24,25)/t14-/m0/s1.
What are the key properties of N-methyl-2-oxo-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
N-methyl-2-oxo-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 97446078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).