3,4-dihydro-2H-quinolin-1-yl-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone

C18H22N4O — CID 24896062

IUPAC3,4-dihydro-2H-quinolin-1-yl-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone
SMILESO=C(N1CCC(c2cn[nH]c2)CC1)N1CCCc2ccccc21
InChIInChI=1S/C18H22N4O/c23-18(22-9-3-5-15-4-1-2-6-17(15)22)21-10-7-14(8-11-21)16-12-19-20-13-16/h1-2,4,6,12-14H,3,5,7-11H2,(H,19,20)
InChIKeyXRXOWLSSJZUJBB-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.16
Rot. Bonds1

About 3,4-dihydro-2H-quinolin-1-yl-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone

3,4-dihydro-2H-quinolin-1-yl-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone (PubChem CID 24896062) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone
PubChem CID24896062
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone
SMILESO=C(N1CCC(c2cn[nH]c2)CC1)N1CCCc2ccccc21
InChIInChI=1S/C18H22N4O/c23-18(22-9-3-5-15-4-1-2-6-17(15)22)21-10-7-14(8-11-21)16-12-19-20-13-16/h1-2,4,6,12-14H,3,5,7-11H2,(H,19,20)
InChIKeyXRXOWLSSJZUJBB-UHFFFAOYSA-N
XLogP3.16
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-(4-pyridin-3-ylpiperidin-1-yl)methanone
CID 24896014
3,4-dihydro-2H-quinolin-1-yl-(4-methylpiperidin-1-yl)methanone
CID 108987982
2,3-dihydro-1,4-benzoxazin-4-yl-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 54583349
1-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidine-4-carboxylic acid
CID 28513192
4-[4-[(3R)-3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl]-2,3-dihydroquinoxalin-1-yl]benzonitrile
CID 67188004
4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperazine-1-carbaldehyde
CID 108988608
2,3-dihydroindol-1-yl-[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 99818768
(3-phenylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 62069692
N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 113225655
[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109095477
(1S,5S)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)bicyclo[3.3.1]nonan-9-one
CID 98294897
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide
CID 108505743

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone (CID 24896062) is 3,4-dihydro-2H-quinolin-1-yl-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone is O=C(N1CCC(c2cn[nH]c2)CC1)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone?
The InChIKey is XRXOWLSSJZUJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-18(22-9-3-5-15-4-1-2-6-17(15)22)21-10-7-14(8-11-21)16-12-19-20-13-16/h1-2,4,6,12-14H,3,5,7-11H2,(H,19,20).
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone has a molecular weight of 310.40 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 24896062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).