[4-[1-[4-(6-methylquinolin-7-yl)phenyl]cyclopropyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone

C29H32N2O2 — CID 155337466

IUPAC[4-[1-[4-(6-methylquinolin-7-yl)phenyl]cyclopropyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESCc1cc2cccnc2cc1-c1ccc(C2(C3CCN(C(=O)[C@H]4CCCO4)CC3)CC2)cc1
InChIInChI=1S/C29H32N2O2/c1-20-18-22-4-2-14-30-26(22)19-25(20)21-6-8-23(9-7-21)29(12-13-29)24-10-15-31(16-11-24)28(32)27-5-3-17-33-27/h2,4,6-9,14,18-19,24,27H,3,5,10-13,15-17H2,1H3/t27-/m1/s1
InChIKeyLYBCCAQIQZXPGP-HHHXNRCGSA-N
MW440.59 g/mol
LogP5.66
Rot. Bonds4

About [4-[1-[4-(6-methylquinolin-7-yl)phenyl]cyclopropyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone

[4-[1-[4-(6-methylquinolin-7-yl)phenyl]cyclopropyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone (PubChem CID 155337466) has the molecular formula C29H32N2O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is [4-[1-[4-(6-methylquinolin-7-yl)phenyl]cyclopropyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[4-[1-[4-(6-methylquinolin-7-yl)phenyl]cyclopropyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
PubChem CID155337466
Molecular FormulaC29H32N2O2
Molecular Weight440.59 g/mol
Exact Mass440.25
IUPAC Name[4-[1-[4-(6-methylquinolin-7-yl)phenyl]cyclopropyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESCc1cc2cccnc2cc1-c1ccc(C2(C3CCN(C(=O)[C@H]4CCCO4)CC3)CC2)cc1
InChIInChI=1S/C29H32N2O2/c1-20-18-22-4-2-14-30-26(22)19-25(20)21-6-8-23(9-7-21)29(12-13-29)24-10-15-31(16-11-24)28(32)27-5-3-17-33-27/h2,4,6-9,14,18-19,24,27H,3,5,10-13,15-17H2,1H3/t27-/m1/s1
InChIKeyLYBCCAQIQZXPGP-HHHXNRCGSA-N
XLogP5.66
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[1-[4-(6-methylquinolin-7-yl)phenyl]cyclopropyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone with MolForge

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Related Compounds

[4-[(R)-2-methoxyethoxy-[4-(6-methylquinolin-7-yl)phenyl]methyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 155337464
[4-[(R)-[4-(6-methylquinolin-7-yl)phenyl]-(3-morpholin-4-ylpropoxy)methyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 155337446
[4-[1-[4-(8-chloroquinolin-7-yl)phenyl]-1-iodoethyl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 174171465
[(3R,4S)-3-fluoro-4-[4-(8-methylquinolin-7-yl)phenoxy]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone;hydrochloride
CID 155323728
[4-(1,6-naphthyridin-8-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 91953490
[4-(3-methylpyrazin-2-yl)-1,4-diazepan-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 39782177
[4-(3-methylpyrazin-2-yl)-1,4-diazepan-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 39782178
[4-[2-(dimethylamino)-4-pyridin-3-ylpyrimidine-5-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 91952563
[4-(2-methylphenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 27233042
[6-(8-chloroquinolin-7-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]-(oxolan-2-yl)methanone
CID 158936111
1-[4-[2-fluoro-4-(6-methylquinolin-7-yl)phenoxy]piperidin-1-yl]propan-1-one
CID 155010909
[4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 122349768

Frequently Asked Questions

What is the IUPAC name of [4-[1-[4-(6-methylquinolin-7-yl)phenyl]cyclopropyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The IUPAC name of [4-[1-[4-(6-methylquinolin-7-yl)phenyl]cyclopropyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone (CID 155337466) is [4-[1-[4-(6-methylquinolin-7-yl)phenyl]cyclopropyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone.
What is the SMILES notation for [4-[1-[4-(6-methylquinolin-7-yl)phenyl]cyclopropyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The canonical SMILES for [4-[1-[4-(6-methylquinolin-7-yl)phenyl]cyclopropyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone is Cc1cc2cccnc2cc1-c1ccc(C2(C3CCN(C(=O)[C@H]4CCCO4)CC3)CC2)cc1.
What is the InChIKey of [4-[1-[4-(6-methylquinolin-7-yl)phenyl]cyclopropyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The InChIKey is LYBCCAQIQZXPGP-HHHXNRCGSA-N. The full InChI is InChI=1S/C29H32N2O2/c1-20-18-22-4-2-14-30-26(22)19-25(20)21-6-8-23(9-7-21)29(12-13-29)24-10-15-31(16-11-24)28(32)27-5-3-17-33-27/h2,4,6-9,14,18-19,24,27H,3,5,10-13,15-17H2,1H3/t27-/m1/s1.
What are the key properties of [4-[1-[4-(6-methylquinolin-7-yl)phenyl]cyclopropyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
[4-[1-[4-(6-methylquinolin-7-yl)phenyl]cyclopropyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone has a molecular weight of 440.59 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[4-(6-methylquinolin-7-yl)phenyl]cyclopropyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone is sourced from PubChem (CID 155337466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).