6-[(5-chloroquinolin-8-yl)amino]hexanoic acid

C15H17ClN2O2 — CID 116784056

IUPAC6-[(5-chloroquinolin-8-yl)amino]hexanoic acid
SMILESO=C(O)CCCCCNc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H17ClN2O2/c16-12-7-8-13(15-11(12)5-4-10-18-15)17-9-3-1-2-6-14(19)20/h4-5,7-8,10,17H,1-3,6,9H2,(H,19,20)
InChIKeyVBAUAZHLJKBWKS-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.95
Rot. Bonds7

About 6-[(5-chloroquinolin-8-yl)amino]hexanoic acid

6-[(5-chloroquinolin-8-yl)amino]hexanoic acid (PubChem CID 116784056) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 6-[(5-chloroquinolin-8-yl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(5-chloroquinolin-8-yl)amino]hexanoic acid
PubChem CID116784056
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name6-[(5-chloroquinolin-8-yl)amino]hexanoic acid
SMILESO=C(O)CCCCCNc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H17ClN2O2/c16-12-7-8-13(15-11(12)5-4-10-18-15)17-9-3-1-2-6-14(19)20/h4-5,7-8,10,17H,1-3,6,9H2,(H,19,20)
InChIKeyVBAUAZHLJKBWKS-UHFFFAOYSA-N
XLogP3.95
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.95
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

2-[(5-chloroquinolin-8-yl)amino]acetic acid
CID 116783965
5-[(5-chloroquinolin-8-yl)amino]-N'-hydroxypentanimidamide
CID 116784971
6-[(8-chloroquinolin-5-yl)amino]-6-oxohexanoic acid
CID 60941268
3-[(5-chloroquinolin-8-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 116783958
4-[(5-chloroquinolin-8-yl)amino]-2-methylbutan-2-ol
CID 116783853
tert-butyl N-[3-[(5-chloroquinolin-8-yl)amino]propyl]carbamate
CID 103821885
7-[(3-chloro-2-pyridinyl)amino]heptanoic acid
CID 24694576
2-[(5-chloroquinolin-8-yl)amino]ethanesulfonamide
CID 114384833
5-chloro-N-(2-ethylsulfonylethyl)quinolin-8-amine
CID 116783967
8-chloro-N-heptylquinolin-5-amine
CID 43731731
2-[(5-chloroquinolin-8-yl)amino]-N-cyclopropylacetamide
CID 116784065
3-chloro-N-[(5-chloroquinolin-8-yl)carbamoyl]propanamide
CID 116785166

Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloroquinolin-8-yl)amino]hexanoic acid?
The IUPAC name of 6-[(5-chloroquinolin-8-yl)amino]hexanoic acid (CID 116784056) is 6-[(5-chloroquinolin-8-yl)amino]hexanoic acid.
What is the SMILES notation for 6-[(5-chloroquinolin-8-yl)amino]hexanoic acid?
The canonical SMILES for 6-[(5-chloroquinolin-8-yl)amino]hexanoic acid is O=C(O)CCCCCNc1ccc(Cl)c2cccnc12.
What is the InChIKey of 6-[(5-chloroquinolin-8-yl)amino]hexanoic acid?
The InChIKey is VBAUAZHLJKBWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c16-12-7-8-13(15-11(12)5-4-10-18-15)17-9-3-1-2-6-14(19)20/h4-5,7-8,10,17H,1-3,6,9H2,(H,19,20).
What are the key properties of 6-[(5-chloroquinolin-8-yl)amino]hexanoic acid?
6-[(5-chloroquinolin-8-yl)amino]hexanoic acid has a molecular weight of 292.77 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloroquinolin-8-yl)amino]hexanoic acid is sourced from PubChem (CID 116784056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).