5-[(5-bromoquinolin-8-yl)methylamino]pentan-2-ol

C15H19BrN2O — CID 107267644

IUPAC5-[(5-bromoquinolin-8-yl)methylamino]pentan-2-ol
SMILESCC(O)CCCNCc1ccc(Br)c2cccnc12
InChIInChI=1S/C15H19BrN2O/c1-11(19)4-2-8-17-10-12-6-7-14(16)13-5-3-9-18-15(12)13/h3,5-7,9,11,17,19H,2,4,8,10H2,1H3
InChIKeyKTSZVOUSNOKGMX-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.25
Rot. Bonds6

About 5-[(5-bromoquinolin-8-yl)methylamino]pentan-2-ol

5-[(5-bromoquinolin-8-yl)methylamino]pentan-2-ol (PubChem CID 107267644) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 5-[(5-bromoquinolin-8-yl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name5-[(5-bromoquinolin-8-yl)methylamino]pentan-2-ol
PubChem CID107267644
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name5-[(5-bromoquinolin-8-yl)methylamino]pentan-2-ol
SMILESCC(O)CCCNCc1ccc(Br)c2cccnc12
InChIInChI=1S/C15H19BrN2O/c1-11(19)4-2-8-17-10-12-6-7-14(16)13-5-3-9-18-15(12)13/h3,5-7,9,11,17,19H,2,4,8,10H2,1H3
InChIKeyKTSZVOUSNOKGMX-UHFFFAOYSA-N
XLogP3.25
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-bromoquinolin-8-yl)methyl]-3-methylbutan-1-amine
CID 112617661
N-[(5-bromoquinolin-8-yl)methyl]butan-1-amine
CID 112617660
N-[(5-bromoquinolin-8-yl)methyl]-3-methylsulfanylbutan-1-amine
CID 115968069
4-[(5-bromoquinolin-8-yl)methylamino]butanoic acid
CID 112617701
N-[(5-bromoquinolin-8-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 115959068
2-N-[(5-bromoquinolin-8-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 112617830
N-[(5-bromoquinolin-8-yl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 115959258
4-(5-bromoquinolin-8-yl)-N-methylbutan-2-amine
CID 112618640
4-[[(5-bromoquinolin-8-yl)methylamino]methyl]phenol
CID 115968064
5-[(2-methoxy-3-pyridinyl)methylamino]pentan-2-ol
CID 106130584
N-[(5-bromoquinolin-8-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 103943704
1-(5-bromoquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 115959018

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromoquinolin-8-yl)methylamino]pentan-2-ol?
The IUPAC name of 5-[(5-bromoquinolin-8-yl)methylamino]pentan-2-ol (CID 107267644) is 5-[(5-bromoquinolin-8-yl)methylamino]pentan-2-ol.
What is the SMILES notation for 5-[(5-bromoquinolin-8-yl)methylamino]pentan-2-ol?
The canonical SMILES for 5-[(5-bromoquinolin-8-yl)methylamino]pentan-2-ol is CC(O)CCCNCc1ccc(Br)c2cccnc12.
What is the InChIKey of 5-[(5-bromoquinolin-8-yl)methylamino]pentan-2-ol?
The InChIKey is KTSZVOUSNOKGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-11(19)4-2-8-17-10-12-6-7-14(16)13-5-3-9-18-15(12)13/h3,5-7,9,11,17,19H,2,4,8,10H2,1H3.
What are the key properties of 5-[(5-bromoquinolin-8-yl)methylamino]pentan-2-ol?
5-[(5-bromoquinolin-8-yl)methylamino]pentan-2-ol has a molecular weight of 323.23 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromoquinolin-8-yl)methylamino]pentan-2-ol is sourced from PubChem (CID 107267644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).