(4-benzylpiperidin-1-yl)-[6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]methanone

C28H29N3O — CID 42749610

IUPAC(4-benzylpiperidin-1-yl)-[6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]methanone
SMILESCc1ccc2nc(-c3cccn3C)cc(C(=O)N3CCC(Cc4ccccc4)CC3)c2c1
InChIInChI=1S/C28H29N3O/c1-20-10-11-25-23(17-20)24(19-26(29-25)27-9-6-14-30(27)2)28(32)31-15-12-22(13-16-31)18-21-7-4-3-5-8-21/h3-11,14,17,19,22H,12-13,15-16,18H2,1-2H3
InChIKeyYCHNPRTWDMUCON-UHFFFAOYSA-N
MW423.56 g/mol
LogP5.64
Rot. Bonds4

About (4-benzylpiperidin-1-yl)-[6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]methanone

(4-benzylpiperidin-1-yl)-[6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]methanone (PubChem CID 42749610) has the molecular formula C28H29N3O and a molecular weight of 423.56 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]methanone
PubChem CID42749610
Molecular FormulaC28H29N3O
Molecular Weight423.56 g/mol
Exact Mass423.23
IUPAC Name(4-benzylpiperidin-1-yl)-[6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]methanone
SMILESCc1ccc2nc(-c3cccn3C)cc(C(=O)N3CCC(Cc4ccccc4)CC3)c2c1
InChIInChI=1S/C28H29N3O/c1-20-10-11-25-23(17-20)24(19-26(29-25)27-9-6-14-30(27)2)28(32)31-15-12-22(13-16-31)18-21-7-4-3-5-8-21/h3-11,14,17,19,22H,12-13,15-16,18H2,1-2H3
InChIKeyYCHNPRTWDMUCON-UHFFFAOYSA-N
XLogP5.64
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 42749623
(4-benzylpiperidin-1-yl)-(6-chloro-2-phenylquinolin-4-yl)methanone
CID 17250380
(4-benzylpiperazin-1-yl)-[6-fluoro-2-(1-methylpyrrol-2-yl)quinolin-4-yl]methanone
CID 42750082
(4-benzylpiperidin-1-yl)-(6-methyl-3-phenylcinnolin-4-yl)methanone
CID 46288120
(4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)quinolin-4-yl]methanone
CID 4626628
(4-benzylpiperidin-1-yl)-(6-fluoro-2-thiophen-2-ylquinolin-4-yl)methanone
CID 42750188
N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 20964871
N-benzhydryl-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 3616650
(4-benzylpiperidin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 44821564
(4-benzylpiperidin-1-yl)-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone
CID 53162861
6-methyl-N-(3-methylbutyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 42749636
[2-(3-bromophenyl)-6-methylquinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 2220574

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]methanone (CID 42749610) is (4-benzylpiperidin-1-yl)-[6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]methanone is Cc1ccc2nc(-c3cccn3C)cc(C(=O)N3CCC(Cc4ccccc4)CC3)c2c1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]methanone?
The InChIKey is YCHNPRTWDMUCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O/c1-20-10-11-25-23(17-20)24(19-26(29-25)27-9-6-14-30(27)2)28(32)31-15-12-22(13-16-31)18-21-7-4-3-5-8-21/h3-11,14,17,19,22H,12-13,15-16,18H2,1-2H3.
What are the key properties of (4-benzylpiperidin-1-yl)-[6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]methanone?
(4-benzylpiperidin-1-yl)-[6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]methanone has a molecular weight of 423.56 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]methanone is sourced from PubChem (CID 42749610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).