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

C30H36N2O4 — CID 155337464

IUPAC[4-[(R)-2-methoxyethoxy-[4-(6-methylquinolin-7-yl)phenyl]methyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESCOCCO[C@@H](c1ccc(-c2cc3ncccc3cc2C)cc1)C1CCN(C(=O)[C@H]2CCCO2)CC1
InChIInChI=1S/C30H36N2O4/c1-21-19-25-5-3-13-31-27(25)20-26(21)22-7-9-23(10-8-22)29(36-18-17-34-2)24-11-14-32(15-12-24)30(33)28-6-4-16-35-28/h3,5,7-10,13,19-20,24,28-29H,4,6,11-12,14-18H2,1-2H3/t28-,29+/m1/s1
InChIKeyZVALKZIKXSQSHE-WDYNHAJCSA-N
MW488.63 g/mol
LogP5.33
Rot. Bonds8

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

[4-[(R)-2-methoxyethoxy-[4-(6-methylquinolin-7-yl)phenyl]methyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone (PubChem CID 155337464) has the molecular formula C30H36N2O4 and a molecular weight of 488.63 g/mol. Its IUPAC name is [4-[(R)-2-methoxyethoxy-[4-(6-methylquinolin-7-yl)phenyl]methyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[4-[(R)-2-methoxyethoxy-[4-(6-methylquinolin-7-yl)phenyl]methyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
PubChem CID155337464
Molecular FormulaC30H36N2O4
Molecular Weight488.63 g/mol
Exact Mass488.27
IUPAC Name[4-[(R)-2-methoxyethoxy-[4-(6-methylquinolin-7-yl)phenyl]methyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESCOCCO[C@@H](c1ccc(-c2cc3ncccc3cc2C)cc1)C1CCN(C(=O)[C@H]2CCCO2)CC1
InChIInChI=1S/C30H36N2O4/c1-21-19-25-5-3-13-31-27(25)20-26(21)22-7-9-23(10-8-22)29(36-18-17-34-2)24-11-14-32(15-12-24)30(33)28-6-4-16-35-28/h3,5,7-10,13,19-20,24,28-29H,4,6,11-12,14-18H2,1-2H3/t28-,29+/m1/s1
InChIKeyZVALKZIKXSQSHE-WDYNHAJCSA-N
XLogP5.33
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.63
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[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-(6-methylquinolin-7-yl)phenyl]cyclopropyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 155337466
1-[4-[2-fluoro-4-(6-methylquinolin-7-yl)phenoxy]piperidin-1-yl]propan-1-one
CID 155010909
1-[4-[3-hydroxypropoxy-[4-(8-methylquinolin-7-yl)phenyl]methyl]piperidin-1-yl]propan-1-one
CID 153316473
[(3R,4S)-3-fluoro-4-[4-(8-methylquinolin-7-yl)phenoxy]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone;hydrochloride
CID 155323728
[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-[(2S)-oxolan-2-yl]methanone
CID 124798653
[4-[1-[4-(8-chloroquinolin-7-yl)phenyl]-1-iodoethyl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 174171465
[3-(2-hydroxy-1-methoxyethyl)-4-[4-(8-methylquinolin-7-yl)phenyl]sulfanylpiperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 155358428
3-methoxy-1-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]propan-1-one
CID 175657740
oxan-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 74238548
[4-(1,6-naphthyridin-8-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 91953490
N-(2-methoxyethyl)-4-methyl-3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55347495

Frequently Asked Questions

What is the IUPAC name of [4-[(R)-2-methoxyethoxy-[4-(6-methylquinolin-7-yl)phenyl]methyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The IUPAC name of [4-[(R)-2-methoxyethoxy-[4-(6-methylquinolin-7-yl)phenyl]methyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone (CID 155337464) is [4-[(R)-2-methoxyethoxy-[4-(6-methylquinolin-7-yl)phenyl]methyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone.
What is the SMILES notation for [4-[(R)-2-methoxyethoxy-[4-(6-methylquinolin-7-yl)phenyl]methyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The canonical SMILES for [4-[(R)-2-methoxyethoxy-[4-(6-methylquinolin-7-yl)phenyl]methyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone is COCCO[C@@H](c1ccc(-c2cc3ncccc3cc2C)cc1)C1CCN(C(=O)[C@H]2CCCO2)CC1.
What is the InChIKey of [4-[(R)-2-methoxyethoxy-[4-(6-methylquinolin-7-yl)phenyl]methyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The InChIKey is ZVALKZIKXSQSHE-WDYNHAJCSA-N. The full InChI is InChI=1S/C30H36N2O4/c1-21-19-25-5-3-13-31-27(25)20-26(21)22-7-9-23(10-8-22)29(36-18-17-34-2)24-11-14-32(15-12-24)30(33)28-6-4-16-35-28/h3,5,7-10,13,19-20,24,28-29H,4,6,11-12,14-18H2,1-2H3/t28-,29+/m1/s1.
What are the key properties of [4-[(R)-2-methoxyethoxy-[4-(6-methylquinolin-7-yl)phenyl]methyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
[4-[(R)-2-methoxyethoxy-[4-(6-methylquinolin-7-yl)phenyl]methyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone has a molecular weight of 488.63 g/mol, XLogP of 5.33, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(R)-2-methoxyethoxy-[4-(6-methylquinolin-7-yl)phenyl]methyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone is sourced from PubChem (CID 155337464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).