3,4-dihydro-2H-quinolin-1-yl-(4-pyridin-3-ylpiperidin-1-yl)methanone

C20H23N3O — CID 24896014

IUPAC3,4-dihydro-2H-quinolin-1-yl-(4-pyridin-3-ylpiperidin-1-yl)methanone
SMILESO=C(N1CCC(c2cccnc2)CC1)N1CCCc2ccccc21
InChIInChI=1S/C20H23N3O/c24-20(23-12-4-7-17-5-1-2-8-19(17)23)22-13-9-16(10-14-22)18-6-3-11-21-15-18/h1-3,5-6,8,11,15-16H,4,7,9-10,12-14H2
InChIKeySHNGJOVRQSONDD-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.83
Rot. Bonds1

About 3,4-dihydro-2H-quinolin-1-yl-(4-pyridin-3-ylpiperidin-1-yl)methanone

3,4-dihydro-2H-quinolin-1-yl-(4-pyridin-3-ylpiperidin-1-yl)methanone (PubChem CID 24896014) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-(4-pyridin-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-(4-pyridin-3-ylpiperidin-1-yl)methanone
PubChem CID24896014
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-(4-pyridin-3-ylpiperidin-1-yl)methanone
SMILESO=C(N1CCC(c2cccnc2)CC1)N1CCCc2ccccc21
InChIInChI=1S/C20H23N3O/c24-20(23-12-4-7-17-5-1-2-8-19(17)23)22-13-9-16(10-14-22)18-6-3-11-21-15-18/h1-3,5-6,8,11,15-16H,4,7,9-10,12-14H2
InChIKeySHNGJOVRQSONDD-UHFFFAOYSA-N
XLogP3.83
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone
CID 24896062
methyl 1-(3-pyridin-3-ylpyrrolidine-1-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylate
CID 67188217
3,4-dihydro-2H-quinolin-1-yl-(4-methylpiperidin-1-yl)methanone
CID 108987982
1-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidine-4-carboxylic acid
CID 28513192
1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 129301457
4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperazine-1-carbaldehyde
CID 108988608
N-[amino(3,4-dihydro-2H-quinolin-1-yl)methylidene]pyridine-3-carboxamide
CID 22149343
2-amino-1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 82127506
(2-phenylphenyl)-(4-pyridin-3-ylpiperidin-1-yl)methanone
CID 126469063
N-pyridin-3-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 166316460
(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 67188141
(4-chloro-3-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81226103

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(4-pyridin-3-ylpiperidin-1-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(4-pyridin-3-ylpiperidin-1-yl)methanone (CID 24896014) is 3,4-dihydro-2H-quinolin-1-yl-(4-pyridin-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-(4-pyridin-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-(4-pyridin-3-ylpiperidin-1-yl)methanone is O=C(N1CCC(c2cccnc2)CC1)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-(4-pyridin-3-ylpiperidin-1-yl)methanone?
The InChIKey is SHNGJOVRQSONDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c24-20(23-12-4-7-17-5-1-2-8-19(17)23)22-13-9-16(10-14-22)18-6-3-11-21-15-18/h1-3,5-6,8,11,15-16H,4,7,9-10,12-14H2.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-(4-pyridin-3-ylpiperidin-1-yl)methanone?
3,4-dihydro-2H-quinolin-1-yl-(4-pyridin-3-ylpiperidin-1-yl)methanone has a molecular weight of 321.42 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 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-pyridin-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 24896014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).