(4-benzylpiperidin-1-yl)-(6-chloro-2-phenylquinolin-4-yl)methanone

C28H25ClN2O — CID 17250380

IUPAC(4-benzylpiperidin-1-yl)-(6-chloro-2-phenylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)nc2ccc(Cl)cc12)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C28H25ClN2O/c29-23-11-12-26-24(18-23)25(19-27(30-26)22-9-5-2-6-10-22)28(32)31-15-13-21(14-16-31)17-20-7-3-1-4-8-20/h1-12,18-19,21H,13-17H2
InChIKeyDWRDGRNZULGGBC-UHFFFAOYSA-N
MW440.97 g/mol
LogP6.65
Rot. Bonds4

About (4-benzylpiperidin-1-yl)-(6-chloro-2-phenylquinolin-4-yl)methanone

(4-benzylpiperidin-1-yl)-(6-chloro-2-phenylquinolin-4-yl)methanone (PubChem CID 17250380) has the molecular formula C28H25ClN2O and a molecular weight of 440.97 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(6-chloro-2-phenylquinolin-4-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(6-chloro-2-phenylquinolin-4-yl)methanone
PubChem CID17250380
Molecular FormulaC28H25ClN2O
Molecular Weight440.97 g/mol
Exact Mass440.17
IUPAC Name(4-benzylpiperidin-1-yl)-(6-chloro-2-phenylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)nc2ccc(Cl)cc12)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C28H25ClN2O/c29-23-11-12-26-24(18-23)25(19-27(30-26)22-9-5-2-6-10-22)28(32)31-15-13-21(14-16-31)17-20-7-3-1-4-8-20/h1-12,18-19,21H,13-17H2
InChIKeyDWRDGRNZULGGBC-UHFFFAOYSA-N
XLogP6.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.97
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)quinolin-4-yl]methanone
CID 4626628
(4-benzylpiperidin-1-yl)-[6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]methanone
CID 42749610
(4-benzylpiperidin-1-yl)-(6-fluoro-2-thiophen-2-ylquinolin-4-yl)methanone
CID 42750188
(6-chloro-2-pyridin-4-ylquinolin-4-yl)-piperidin-1-ylmethanone
CID 17375203
1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide
CID 2094903
(4-benzylpiperidin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 44821564
(4-aminoazepan-1-yl)-(2-phenylquinolin-4-yl)methanone
CID 56913931
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenylquinolin-4-yl)methanone
CID 119542238
(6-chloro-2-pyridin-4-ylquinolin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 2965627
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone
CID 124611735
1-(4-benzylpiperidin-1-yl)-2-(5-chloro-1-benzofuran-3-yl)ethanone
CID 18860355

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(6-chloro-2-phenylquinolin-4-yl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(6-chloro-2-phenylquinolin-4-yl)methanone (CID 17250380) is (4-benzylpiperidin-1-yl)-(6-chloro-2-phenylquinolin-4-yl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(6-chloro-2-phenylquinolin-4-yl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(6-chloro-2-phenylquinolin-4-yl)methanone is O=C(c1cc(-c2ccccc2)nc2ccc(Cl)cc12)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(6-chloro-2-phenylquinolin-4-yl)methanone?
The InChIKey is DWRDGRNZULGGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClN2O/c29-23-11-12-26-24(18-23)25(19-27(30-26)22-9-5-2-6-10-22)28(32)31-15-13-21(14-16-31)17-20-7-3-1-4-8-20/h1-12,18-19,21H,13-17H2.
What are the key properties of (4-benzylpiperidin-1-yl)-(6-chloro-2-phenylquinolin-4-yl)methanone?
(4-benzylpiperidin-1-yl)-(6-chloro-2-phenylquinolin-4-yl)methanone has a molecular weight of 440.97 g/mol, XLogP of 6.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(6-chloro-2-phenylquinolin-4-yl)methanone is sourced from PubChem (CID 17250380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).