3-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-methylpyrazol-3-yl)propanamide

C16H20N4O — CID 162353383

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-methylpyrazol-3-yl)propanamide
SMILESCn1ccc(NC(=O)CCN2CCCc3ccccc32)n1
InChIInChI=1S/C16H20N4O/c1-19-11-8-15(18-19)17-16(21)9-12-20-10-4-6-13-5-2-3-7-14(13)20/h2-3,5,7-8,11H,4,6,9-10,12H2,1H3,(H,17,18,21)
InChIKeyFTGSJULYBLEGFY-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.20
Rot. Bonds4

About 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-methylpyrazol-3-yl)propanamide

3-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-methylpyrazol-3-yl)propanamide (PubChem CID 162353383) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-methylpyrazol-3-yl)propanamide
PubChem CID162353383
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-methylpyrazol-3-yl)propanamide
SMILESCn1ccc(NC(=O)CCN2CCCc3ccccc32)n1
InChIInChI=1S/C16H20N4O/c1-19-11-8-15(18-19)17-16(21)9-12-20-10-4-6-13-5-2-3-7-14(13)20/h2-3,5,7-8,11H,4,6,9-10,12H2,1H3,(H,17,18,21)
InChIKeyFTGSJULYBLEGFY-UHFFFAOYSA-N
XLogP2.20
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560409
2-phenyl-N-(1-phenylpyrazol-3-yl)acetamide
CID 110472142
2-[4-(dimethylamino)phenyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 118560158
2-[4-(dimethylamino)phenyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 118560322
N-[1-[(4-cyanophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560356
1-[1-methyl-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373032
2-methyl-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide
CID 134589079
(2S)-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide
CID 134589089
2-(2-fluorophenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 134589150
(2R)-2-phenyl-N-(1-phenylpyrazol-3-yl)butanamide
CID 134596218
(2R)-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide
CID 134596221
5-(dimethylamino)-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375614

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-methylpyrazol-3-yl)propanamide?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-methylpyrazol-3-yl)propanamide (CID 162353383) is 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-methylpyrazol-3-yl)propanamide?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-methylpyrazol-3-yl)propanamide is Cn1ccc(NC(=O)CCN2CCCc3ccccc32)n1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-methylpyrazol-3-yl)propanamide?
The InChIKey is FTGSJULYBLEGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-19-11-8-15(18-19)17-16(21)9-12-20-10-4-6-13-5-2-3-7-14(13)20/h2-3,5,7-8,11H,4,6,9-10,12H2,1H3,(H,17,18,21).
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-methylpyrazol-3-yl)propanamide?
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-methylpyrazol-3-yl)propanamide has a molecular weight of 284.36 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 162353383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).