11-(5-bromo-8-propan-2-yloxyquinolin-2-yl)undecan-1-ol

C23H34BrNO2 — CID 85472452

IUPAC11-(5-bromo-8-propan-2-yloxyquinolin-2-yl)undecan-1-ol
SMILESCC(C)Oc1ccc(Br)c2ccc(CCCCCCCCCCCO)nc12
InChIInChI=1S/C23H34BrNO2/c1-18(2)27-22-16-15-21(24)20-14-13-19(25-23(20)22)12-10-8-6-4-3-5-7-9-11-17-26/h13-16,18,26H,3-12,17H2,1-2H3
InChIKeyPUNQNSYNZQFQNY-UHFFFAOYSA-N
MW436.43 g/mol
LogP6.83
Rot. Bonds13

About 11-(5-bromo-8-propan-2-yloxyquinolin-2-yl)undecan-1-ol

11-(5-bromo-8-propan-2-yloxyquinolin-2-yl)undecan-1-ol (PubChem CID 85472452) has the molecular formula C23H34BrNO2 and a molecular weight of 436.43 g/mol. Its IUPAC name is 11-(5-bromo-8-propan-2-yloxyquinolin-2-yl)undecan-1-ol.

Molecular Properties

Compound Name11-(5-bromo-8-propan-2-yloxyquinolin-2-yl)undecan-1-ol
PubChem CID85472452
Molecular FormulaC23H34BrNO2
Molecular Weight436.43 g/mol
Exact Mass435.18
IUPAC Name11-(5-bromo-8-propan-2-yloxyquinolin-2-yl)undecan-1-ol
SMILESCC(C)Oc1ccc(Br)c2ccc(CCCCCCCCCCCO)nc12
InChIInChI=1S/C23H34BrNO2/c1-18(2)27-22-16-15-21(24)20-14-13-19(25-23(20)22)12-10-8-6-4-3-5-7-9-11-17-26/h13-16,18,26H,3-12,17H2,1-2H3
InChIKeyPUNQNSYNZQFQNY-UHFFFAOYSA-N
XLogP6.83
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.43
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

11-(5-chloro-8-phenylmethoxyquinolin-2-yl)undecan-1-ol
CID 86299863
11-[8-(cyclopropylmethoxy)-5-fluoroquinolin-2-yl]undecan-1-ol
CID 86300011
1-bromo-4-propan-2-yloxynaphthalene
CID 15341859
2-(5-bromo-2-methylquinolin-8-yl)oxypropanamide
CID 82580448
(6-chloro-5-propan-2-yloxy-2-pyridinyl)methanol
CID 59504182
2,5-dibromo-8-methoxyquinoline
CID 102941160
2-amino-2-(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)ethanol
CID 117489330
1-(8-propan-2-yloxyquinolin-2-yl)propan-2-amine
CID 82244094
2-bromo-6-methyl-3-propan-2-yloxypyridine
CID 154814935
10-[8-(cyclopropylmethoxy)quinolin-2-yl]decan-1-ol
CID 85472576
9-quinolin-2-ylnonan-1-ol
CID 19898716
1-hydroxy-12-(5-hydroxy-6-methyl-2-pyridinyl)dodecan-6-one
CID 45378270

Frequently Asked Questions

What is the IUPAC name of 11-(5-bromo-8-propan-2-yloxyquinolin-2-yl)undecan-1-ol?
The IUPAC name of 11-(5-bromo-8-propan-2-yloxyquinolin-2-yl)undecan-1-ol (CID 85472452) is 11-(5-bromo-8-propan-2-yloxyquinolin-2-yl)undecan-1-ol.
What is the SMILES notation for 11-(5-bromo-8-propan-2-yloxyquinolin-2-yl)undecan-1-ol?
The canonical SMILES for 11-(5-bromo-8-propan-2-yloxyquinolin-2-yl)undecan-1-ol is CC(C)Oc1ccc(Br)c2ccc(CCCCCCCCCCCO)nc12.
What is the InChIKey of 11-(5-bromo-8-propan-2-yloxyquinolin-2-yl)undecan-1-ol?
The InChIKey is PUNQNSYNZQFQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34BrNO2/c1-18(2)27-22-16-15-21(24)20-14-13-19(25-23(20)22)12-10-8-6-4-3-5-7-9-11-17-26/h13-16,18,26H,3-12,17H2,1-2H3.
What are the key properties of 11-(5-bromo-8-propan-2-yloxyquinolin-2-yl)undecan-1-ol?
11-(5-bromo-8-propan-2-yloxyquinolin-2-yl)undecan-1-ol has a molecular weight of 436.43 g/mol, XLogP of 6.83, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(5-bromo-8-propan-2-yloxyquinolin-2-yl)undecan-1-ol is sourced from PubChem (CID 85472452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).