[4-[[4-(6-chloroquinolin-7-yl)phenyl]methyl]piperidin-1-yl]-cyclopropylmethanone

C25H25ClN2O — CID 155337461

IUPAC[4-[[4-(6-chloroquinolin-7-yl)phenyl]methyl]piperidin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCC(Cc2ccc(-c3cc4ncccc4cc3Cl)cc2)CC1
InChIInChI=1S/C25H25ClN2O/c26-23-15-21-2-1-11-27-24(21)16-22(23)19-5-3-17(4-6-19)14-18-9-12-28(13-10-18)25(29)20-7-8-20/h1-6,11,15-16,18,20H,7-10,12-14H2
InChIKeyYEHIHVMTSOGUKB-UHFFFAOYSA-N
MW404.94 g/mol
LogP5.75
Rot. Bonds4

About [4-[[4-(6-chloroquinolin-7-yl)phenyl]methyl]piperidin-1-yl]-cyclopropylmethanone

[4-[[4-(6-chloroquinolin-7-yl)phenyl]methyl]piperidin-1-yl]-cyclopropylmethanone (PubChem CID 155337461) has the molecular formula C25H25ClN2O and a molecular weight of 404.94 g/mol. Its IUPAC name is [4-[[4-(6-chloroquinolin-7-yl)phenyl]methyl]piperidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-[[4-(6-chloroquinolin-7-yl)phenyl]methyl]piperidin-1-yl]-cyclopropylmethanone
PubChem CID155337461
Molecular FormulaC25H25ClN2O
Molecular Weight404.94 g/mol
Exact Mass404.17
IUPAC Name[4-[[4-(6-chloroquinolin-7-yl)phenyl]methyl]piperidin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCC(Cc2ccc(-c3cc4ncccc4cc3Cl)cc2)CC1
InChIInChI=1S/C25H25ClN2O/c26-23-15-21-2-1-11-27-24(21)16-22(23)19-5-3-17(4-6-19)14-18-9-12-28(13-10-18)25(29)20-7-8-20/h1-6,11,15-16,18,20H,7-10,12-14H2
InChIKeyYEHIHVMTSOGUKB-UHFFFAOYSA-N
XLogP5.75
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.94
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-[[4-(6-chloroquinolin-7-yl)phenyl]methyl]piperidin-1-yl]-cyclopropylmethanone with MolForge

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Related Compounds

[(3R)-oxan-3-yl]-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 124983487
cyclopropyl-[4-[4-(6-methoxyquinolin-7-yl)phenoxy]piperidin-1-yl]methanone
CID 155010934
cyclopropyl-[(3R)-3-[[2-[4-(2,4-dichlorophenyl)phenyl]imidazo[4,5-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 71007960
tert-butyl 4-(quinolin-6-ylmethyl)piperidine-1-carboxylate
CID 174880299
(4-benzylpiperidin-1-yl)-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone
CID 26590906
pyridin-3-yl-[3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone
CID 110258714
(1-methylpyrazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone
CID 95828739
(1-methylimidazol-4-yl)-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 110090455
4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid
CID 24892821
4-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-3-(2-fluoro-4-quinolin-7-ylphenyl)-1H-1,2,4-triazol-5-one
CID 66800656
cyclopropyl-[3-ethyl-4-(quinolin-6-ylmethylamino)piperidin-1-yl]methanone
CID 71927362
pyrimidin-4-yl-[(4R)-4-(quinolin-6-ylmethyl)azepan-1-yl]methanone
CID 124975155

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(6-chloroquinolin-7-yl)phenyl]methyl]piperidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-[[4-(6-chloroquinolin-7-yl)phenyl]methyl]piperidin-1-yl]-cyclopropylmethanone (CID 155337461) is [4-[[4-(6-chloroquinolin-7-yl)phenyl]methyl]piperidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-[[4-(6-chloroquinolin-7-yl)phenyl]methyl]piperidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-[[4-(6-chloroquinolin-7-yl)phenyl]methyl]piperidin-1-yl]-cyclopropylmethanone is O=C(C1CC1)N1CCC(Cc2ccc(-c3cc4ncccc4cc3Cl)cc2)CC1.
What is the InChIKey of [4-[[4-(6-chloroquinolin-7-yl)phenyl]methyl]piperidin-1-yl]-cyclopropylmethanone?
The InChIKey is YEHIHVMTSOGUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O/c26-23-15-21-2-1-11-27-24(21)16-22(23)19-5-3-17(4-6-19)14-18-9-12-28(13-10-18)25(29)20-7-8-20/h1-6,11,15-16,18,20H,7-10,12-14H2.
What are the key properties of [4-[[4-(6-chloroquinolin-7-yl)phenyl]methyl]piperidin-1-yl]-cyclopropylmethanone?
[4-[[4-(6-chloroquinolin-7-yl)phenyl]methyl]piperidin-1-yl]-cyclopropylmethanone has a molecular weight of 404.94 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(6-chloroquinolin-7-yl)phenyl]methyl]piperidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 155337461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).