N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazole-4-carboxamide

C16H18N4O2 — CID 71937420

IUPACN-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C16H18N4O2/c1-11-13(9-18-19-11)16(22)17-10-15(21)20-8-4-6-12-5-2-3-7-14(12)20/h2-3,5,7,9H,4,6,8,10H2,1H3,(H,17,22)(H,18,19)
InChIKeyHTFGCSCXVYMYLS-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.43
Rot. Bonds3

About N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazole-4-carboxamide

N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 71937420) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID71937420
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C16H18N4O2/c1-11-13(9-18-19-11)16(22)17-10-15(21)20-8-4-6-12-5-2-3-7-14(12)20/h2-3,5,7,9H,4,6,8,10H2,1H3,(H,17,22)(H,18,19)
InChIKeyHTFGCSCXVYMYLS-UHFFFAOYSA-N
XLogP1.43
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylbenzamide
CID 53125829
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 47714484
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119747290
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112996355
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 53125842
2-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]propanamide;hydrochloride
CID 119302463
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(dimethylamino)benzamide
CID 53125847
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 51160617
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 51160588
2-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-phenylpropanamide
CID 120590099
2-(tert-butylamino)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 78928291
3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-hydroxybenzamide
CID 47078456

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazole-4-carboxamide (CID 71937420) is N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)NCC(=O)N1CCCc2ccccc21.
What is the InChIKey of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is HTFGCSCXVYMYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-11-13(9-18-19-11)16(22)17-10-15(21)20-8-4-6-12-5-2-3-7-14(12)20/h2-3,5,7,9H,4,6,8,10H2,1H3,(H,17,22)(H,18,19).
What are the key properties of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazole-4-carboxamide?
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71937420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).