butyl 2-[(5-chloroquinolin-8-yl)amino]acetate

C15H17ClN2O2 — CID 116783881

IUPACbutyl 2-[(5-chloroquinolin-8-yl)amino]acetate
SMILESCCCCOC(=O)CNc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H17ClN2O2/c1-2-3-9-20-14(19)10-18-13-7-6-12(16)11-5-4-8-17-15(11)13/h4-8,18H,2-3,9-10H2,1H3
InChIKeyJPHGGUQJAMWKIX-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.64
Rot. Bonds6

About butyl 2-[(5-chloroquinolin-8-yl)amino]acetate

butyl 2-[(5-chloroquinolin-8-yl)amino]acetate (PubChem CID 116783881) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is butyl 2-[(5-chloroquinolin-8-yl)amino]acetate.

Molecular Properties

Compound Namebutyl 2-[(5-chloroquinolin-8-yl)amino]acetate
PubChem CID116783881
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Namebutyl 2-[(5-chloroquinolin-8-yl)amino]acetate
SMILESCCCCOC(=O)CNc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H17ClN2O2/c1-2-3-9-20-14(19)10-18-13-7-6-12(16)11-5-4-8-17-15(11)13/h4-8,18H,2-3,9-10H2,1H3
InChIKeyJPHGGUQJAMWKIX-UHFFFAOYSA-N
XLogP3.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
ethyl 2-[(5-aminoquinolin-8-yl)amino]acetate
CID 54860612
N-butan-2-yl-2-[(5-chloroquinolin-8-yl)amino]acetamide
CID 116783982
3-[(5-chloroquinolin-8-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 116783958
1-butyl-3-(5-chloroquinolin-8-yl)urea
CID 47201926
butyl 2-(3-chloro-2-methylanilino)acetate
CID 54917755
butyl 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate
CID 63416672
2-[(5-chloroquinolin-8-yl)amino]-N-cyclopropylacetamide
CID 116784065
tert-butyl N-[3-[(5-chloroquinolin-8-yl)amino]propyl]carbamate
CID 103821885
3-amino-N-(5-chloroquinolin-8-yl)-2,2,3-trimethylbutanamide
CID 65269986
5-chloro-N-(2-ethylsulfonylethyl)quinolin-8-amine
CID 116783967
6-[(5-chloroquinolin-8-yl)amino]hexanoic acid
CID 116784056

Frequently Asked Questions

What is the IUPAC name of butyl 2-[(5-chloroquinolin-8-yl)amino]acetate?
The IUPAC name of butyl 2-[(5-chloroquinolin-8-yl)amino]acetate (CID 116783881) is butyl 2-[(5-chloroquinolin-8-yl)amino]acetate.
What is the SMILES notation for butyl 2-[(5-chloroquinolin-8-yl)amino]acetate?
The canonical SMILES for butyl 2-[(5-chloroquinolin-8-yl)amino]acetate is CCCCOC(=O)CNc1ccc(Cl)c2cccnc12.
What is the InChIKey of butyl 2-[(5-chloroquinolin-8-yl)amino]acetate?
The InChIKey is JPHGGUQJAMWKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-2-3-9-20-14(19)10-18-13-7-6-12(16)11-5-4-8-17-15(11)13/h4-8,18H,2-3,9-10H2,1H3.
What are the key properties of butyl 2-[(5-chloroquinolin-8-yl)amino]acetate?
butyl 2-[(5-chloroquinolin-8-yl)amino]acetate has a molecular weight of 292.77 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[(5-chloroquinolin-8-yl)amino]acetate is sourced from PubChem (CID 116783881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).