1-(5-bromoquinolin-8-yl)-3-methylhexan-1-ol

C16H20BrNO — CID 112618176

IUPAC1-(5-bromoquinolin-8-yl)-3-methylhexan-1-ol
SMILESCCCC(C)CC(O)c1ccc(Br)c2cccnc12
InChIInChI=1S/C16H20BrNO/c1-3-5-11(2)10-15(19)13-7-8-14(17)12-6-4-9-18-16(12)13/h4,6-9,11,15,19H,3,5,10H2,1-2H3
InChIKeyYIUVSCFMTCSSRE-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.86
Rot. Bonds5

About 1-(5-bromoquinolin-8-yl)-3-methylhexan-1-ol

1-(5-bromoquinolin-8-yl)-3-methylhexan-1-ol (PubChem CID 112618176) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is 1-(5-bromoquinolin-8-yl)-3-methylhexan-1-ol.

Molecular Properties

Compound Name1-(5-bromoquinolin-8-yl)-3-methylhexan-1-ol
PubChem CID112618176
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC Name1-(5-bromoquinolin-8-yl)-3-methylhexan-1-ol
SMILESCCCC(C)CC(O)c1ccc(Br)c2cccnc12
InChIInChI=1S/C16H20BrNO/c1-3-5-11(2)10-15(19)13-7-8-14(17)12-6-4-9-18-16(12)13/h4,6-9,11,15,19H,3,5,10H2,1-2H3
InChIKeyYIUVSCFMTCSSRE-UHFFFAOYSA-N
XLogP4.86
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-(5-bromoquinolin-8-yl)-4-hydroxy-2-methylbutanoate
CID 115960217
1-(5-bromoquinolin-8-yl)-2-propoxyethanol
CID 112618151
1-(5-bromoquinolin-8-yl)-2-(3-bromothiophen-2-yl)ethanol
CID 115959968
(5-bromoquinolin-8-yl)-cyclopentylmethanol
CID 112618124
2-[(5-bromoquinolin-8-yl)-hydroxymethyl]-3-methylbutanoic acid
CID 115960370
2-(5-bromoquinolin-8-yl)-2-(butan-2-ylamino)acetic acid
CID 115959642
4-amino-3-(5-bromoquinolin-8-yl)-4-methylpentan-1-ol
CID 112618657
5-bromo-8-ethoxyquinoline
CID 100612531
1-(4-bromo-2-methylphenyl)-3-methylhexan-1-ol
CID 115788916
3-(5-bromoquinolin-8-yl)-3-(propylamino)propanamide
CID 115960567
(3R)-3-amino-3-(5-bromoquinolin-8-yl)propanamide
CID 103940793
8-bromo-5-propan-2-ylquinoline
CID 22716768

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromoquinolin-8-yl)-3-methylhexan-1-ol?
The IUPAC name of 1-(5-bromoquinolin-8-yl)-3-methylhexan-1-ol (CID 112618176) is 1-(5-bromoquinolin-8-yl)-3-methylhexan-1-ol.
What is the SMILES notation for 1-(5-bromoquinolin-8-yl)-3-methylhexan-1-ol?
The canonical SMILES for 1-(5-bromoquinolin-8-yl)-3-methylhexan-1-ol is CCCC(C)CC(O)c1ccc(Br)c2cccnc12.
What is the InChIKey of 1-(5-bromoquinolin-8-yl)-3-methylhexan-1-ol?
The InChIKey is YIUVSCFMTCSSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO/c1-3-5-11(2)10-15(19)13-7-8-14(17)12-6-4-9-18-16(12)13/h4,6-9,11,15,19H,3,5,10H2,1-2H3.
What are the key properties of 1-(5-bromoquinolin-8-yl)-3-methylhexan-1-ol?
1-(5-bromoquinolin-8-yl)-3-methylhexan-1-ol has a molecular weight of 322.25 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromoquinolin-8-yl)-3-methylhexan-1-ol is sourced from PubChem (CID 112618176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).