5-chloro-7-pentan-3-ylquinolin-8-ol

C14H16ClNO — CID 91402893

IUPAC5-chloro-7-pentan-3-ylquinolin-8-ol
SMILESCCC(CC)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C14H16ClNO/c1-3-9(4-2)11-8-12(15)10-6-5-7-16-13(10)14(11)17/h5-9,17H,3-4H2,1-2H3
InChIKeyYZGXRHWZULQBDD-UHFFFAOYSA-N
MW249.74 g/mol
LogP4.50
Rot. Bonds3

About 5-chloro-7-pentan-3-ylquinolin-8-ol

5-chloro-7-pentan-3-ylquinolin-8-ol (PubChem CID 91402893) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 5-chloro-7-pentan-3-ylquinolin-8-ol.

Molecular Properties

Compound Name5-chloro-7-pentan-3-ylquinolin-8-ol
PubChem CID91402893
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name5-chloro-7-pentan-3-ylquinolin-8-ol
SMILESCCC(CC)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C14H16ClNO/c1-3-9(4-2)11-8-12(15)10-6-5-7-16-13(10)14(11)17/h5-9,17H,3-4H2,1-2H3
InChIKeyYZGXRHWZULQBDD-UHFFFAOYSA-N
XLogP4.50
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-1-(5-chloro-8-hydroxyquinolin-7-yl)propane-1,2-diol
CID 171863193
5-chloro-7-[hydroxy(pyridin-3-yl)methyl]quinolin-8-ol
CID 146026296
5,7-dichloroquinolin-8-ol;nickel
CID 175096460
(5-chloro-8-hydroxyquinolin-7-yl)-trimethylazanium
CID 87200187
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]acetamide
CID 3136129
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]acetamide
CID 2920402
5-chloro-7-(chloromethyl)quinolin-8-ol
CID 4702114
N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-2-ylmethyl]butanamide
CID 164865703
5-chloro-7-[(S)-(4-ethylpiperazine-1,4-diium-1-yl)-pyridin-2-ylmethyl]quinolin-8-ol
CID 7762088
tert-butyl N-[3-(5-chloro-8-hydroxyquinolin-7-yl)-2,3-dihydroxypropyl]carbamate
CID 170833275
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-methylpropanamide
CID 3138762
S-[4-(5-chloro-8-hydroxyquinolin-7-yl)-3,4-dihydroxybutyl] ethanethioate
CID 171877044

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-pentan-3-ylquinolin-8-ol?
The IUPAC name of 5-chloro-7-pentan-3-ylquinolin-8-ol (CID 91402893) is 5-chloro-7-pentan-3-ylquinolin-8-ol.
What is the SMILES notation for 5-chloro-7-pentan-3-ylquinolin-8-ol?
The canonical SMILES for 5-chloro-7-pentan-3-ylquinolin-8-ol is CCC(CC)c1cc(Cl)c2cccnc2c1O.
What is the InChIKey of 5-chloro-7-pentan-3-ylquinolin-8-ol?
The InChIKey is YZGXRHWZULQBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-3-9(4-2)11-8-12(15)10-6-5-7-16-13(10)14(11)17/h5-9,17H,3-4H2,1-2H3.
What are the key properties of 5-chloro-7-pentan-3-ylquinolin-8-ol?
5-chloro-7-pentan-3-ylquinolin-8-ol has a molecular weight of 249.74 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-pentan-3-ylquinolin-8-ol is sourced from PubChem (CID 91402893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).