1-(2-chloro-6-methoxyquinolin-3-yl)pentan-1-ol

C15H18ClNO2 — CID 132776082

IUPAC1-(2-chloro-6-methoxyquinolin-3-yl)pentan-1-ol
SMILESCCCCC(O)c1cc2cc(OC)ccc2nc1Cl
InChIInChI=1S/C15H18ClNO2/c1-3-4-5-14(18)12-9-10-8-11(19-2)6-7-13(10)17-15(12)16/h6-9,14,18H,3-5H2,1-2H3
InChIKeyLRVOLQOBVHGOFX-UHFFFAOYSA-N
MW279.77 g/mol
LogP4.12
Rot. Bonds5

About 1-(2-chloro-6-methoxyquinolin-3-yl)pentan-1-ol

1-(2-chloro-6-methoxyquinolin-3-yl)pentan-1-ol (PubChem CID 132776082) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-(2-chloro-6-methoxyquinolin-3-yl)pentan-1-ol.

Molecular Properties

Compound Name1-(2-chloro-6-methoxyquinolin-3-yl)pentan-1-ol
PubChem CID132776082
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name1-(2-chloro-6-methoxyquinolin-3-yl)pentan-1-ol
SMILESCCCCC(O)c1cc2cc(OC)ccc2nc1Cl
InChIInChI=1S/C15H18ClNO2/c1-3-4-5-14(18)12-9-10-8-11(19-2)6-7-13(10)17-15(12)16/h6-9,14,18H,3-5H2,1-2H3
InChIKeyLRVOLQOBVHGOFX-UHFFFAOYSA-N
XLogP4.12
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-6-methoxyquinolin-3-yl)-3-sulfanylpropane-1,2-diol
CID 170821236
(1S,3S)-1-(2-chloro-7-methoxyquinolin-3-yl)butane-1,3-diol
CID 10265756
2-chloro-6-methoxy-3-propylquinoline
CID 63231530
1-(2-chloro-4-methoxyphenyl)decan-1-ol
CID 65427527
1-(4-methoxyphenyl)pentan-1-ol
CID 10176510
2-chloro-3-(fluoromethyl)-6-methoxyquinoline
CID 163369933
1-(2-bromo-4-methoxyphenyl)octan-1-ol
CID 55199625
1-(2-bromo-4-methoxyphenyl)heptan-1-ol
CID 114753404
1-(4-methoxy-2-methylphenyl)octan-1-ol
CID 61101302
methyl 2-[acetyloxy-(2-chloro-6-methoxyquinolin-3-yl)methyl]prop-2-enoate
CID 129285463
1-(2-bromo-5-methoxyphenyl)nonan-1-ol
CID 105085691
N-butyl-3-chloro-7-methoxyquinoxalin-2-amine
CID 86055666

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methoxyquinolin-3-yl)pentan-1-ol?
The IUPAC name of 1-(2-chloro-6-methoxyquinolin-3-yl)pentan-1-ol (CID 132776082) is 1-(2-chloro-6-methoxyquinolin-3-yl)pentan-1-ol.
What is the SMILES notation for 1-(2-chloro-6-methoxyquinolin-3-yl)pentan-1-ol?
The canonical SMILES for 1-(2-chloro-6-methoxyquinolin-3-yl)pentan-1-ol is CCCCC(O)c1cc2cc(OC)ccc2nc1Cl.
What is the InChIKey of 1-(2-chloro-6-methoxyquinolin-3-yl)pentan-1-ol?
The InChIKey is LRVOLQOBVHGOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-3-4-5-14(18)12-9-10-8-11(19-2)6-7-13(10)17-15(12)16/h6-9,14,18H,3-5H2,1-2H3.
What are the key properties of 1-(2-chloro-6-methoxyquinolin-3-yl)pentan-1-ol?
1-(2-chloro-6-methoxyquinolin-3-yl)pentan-1-ol has a molecular weight of 279.77 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methoxyquinolin-3-yl)pentan-1-ol is sourced from PubChem (CID 132776082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).