1-(3-bromoquinolin-2-yl)-2-methylpentan-1-ol

C15H18BrNO — CID 114013472

IUPAC1-(3-bromoquinolin-2-yl)-2-methylpentan-1-ol
SMILESCCCC(C)C(O)c1nc2ccccc2cc1Br
InChIInChI=1S/C15H18BrNO/c1-3-6-10(2)15(18)14-12(16)9-11-7-4-5-8-13(11)17-14/h4-5,7-10,15,18H,3,6H2,1-2H3
InChIKeyYEGHNPNJDHYAEP-UHFFFAOYSA-N
MW308.22 g/mol
LogP4.47
Rot. Bonds4

About 1-(3-bromoquinolin-2-yl)-2-methylpentan-1-ol

1-(3-bromoquinolin-2-yl)-2-methylpentan-1-ol (PubChem CID 114013472) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is 1-(3-bromoquinolin-2-yl)-2-methylpentan-1-ol.

Molecular Properties

Compound Name1-(3-bromoquinolin-2-yl)-2-methylpentan-1-ol
PubChem CID114013472
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC Name1-(3-bromoquinolin-2-yl)-2-methylpentan-1-ol
SMILESCCCC(C)C(O)c1nc2ccccc2cc1Br
InChIInChI=1S/C15H18BrNO/c1-3-6-10(2)15(18)14-12(16)9-11-7-4-5-8-13(11)17-14/h4-5,7-10,15,18H,3,6H2,1-2H3
InChIKeyYEGHNPNJDHYAEP-UHFFFAOYSA-N
XLogP4.47
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromoquinolin-2-yl)-2-methylpentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromoquinolin-2-yl)heptylhydrazine
CID 105257321
(3-bromo-2-fluorophenyl)-(3-bromoquinolin-2-yl)methanol
CID 106645159
[1-(3-bromoquinolin-2-yl)-2-methylpropyl]hydrazine
CID 105257290
[1-(3-bromoquinolin-2-yl)-3-ethylpentyl]hydrazine
CID 105257345
1-(3-bromoquinolin-2-yl)-N,3-diethylpentan-1-amine
CID 82909949
2-(3-methylquinolin-2-yl)pentan-3-ol
CID 63562501
1-(3-bromoquinolin-2-yl)-N-ethyl-4-methoxybutan-1-amine
CID 114856703
[1-(3-bromoquinolin-2-yl)-3-methylbut-2-enyl]hydrazine
CID 105257346
(3-bromoquinolin-2-yl)-(3-propyltriazol-4-yl)methanamine
CID 114688819
1-quinolin-3-ylbutan-1-ol
CID 60924193
1-(2-bromo-6-fluorophenyl)-2-methylpentan-1-ol
CID 107893072
(3-bromoquinolin-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methanol
CID 102654812

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromoquinolin-2-yl)-2-methylpentan-1-ol?
The IUPAC name of 1-(3-bromoquinolin-2-yl)-2-methylpentan-1-ol (CID 114013472) is 1-(3-bromoquinolin-2-yl)-2-methylpentan-1-ol.
What is the SMILES notation for 1-(3-bromoquinolin-2-yl)-2-methylpentan-1-ol?
The canonical SMILES for 1-(3-bromoquinolin-2-yl)-2-methylpentan-1-ol is CCCC(C)C(O)c1nc2ccccc2cc1Br.
What is the InChIKey of 1-(3-bromoquinolin-2-yl)-2-methylpentan-1-ol?
The InChIKey is YEGHNPNJDHYAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-3-6-10(2)15(18)14-12(16)9-11-7-4-5-8-13(11)17-14/h4-5,7-10,15,18H,3,6H2,1-2H3.
What are the key properties of 1-(3-bromoquinolin-2-yl)-2-methylpentan-1-ol?
1-(3-bromoquinolin-2-yl)-2-methylpentan-1-ol has a molecular weight of 308.22 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromoquinolin-2-yl)-2-methylpentan-1-ol is sourced from PubChem (CID 114013472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).