2-[[(7-chloroquinolin-4-yl)amino]methyl]butanoic acid

C14H15ClN2O2 — CID 65223950

IUPAC2-[[(7-chloroquinolin-4-yl)amino]methyl]butanoic acid
SMILESCCC(CNc1ccnc2cc(Cl)ccc12)C(=O)O
InChIInChI=1S/C14H15ClN2O2/c1-2-9(14(18)19)8-17-12-5-6-16-13-7-10(15)3-4-11(12)13/h3-7,9H,2,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyUYEORZPYPDZWJV-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.41
Rot. Bonds5

About 2-[[(7-chloroquinolin-4-yl)amino]methyl]butanoic acid

2-[[(7-chloroquinolin-4-yl)amino]methyl]butanoic acid (PubChem CID 65223950) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-[[(7-chloroquinolin-4-yl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[(7-chloroquinolin-4-yl)amino]methyl]butanoic acid
PubChem CID65223950
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name2-[[(7-chloroquinolin-4-yl)amino]methyl]butanoic acid
SMILESCCC(CNc1ccnc2cc(Cl)ccc12)C(=O)O
InChIInChI=1S/C14H15ClN2O2/c1-2-9(14(18)19)8-17-12-5-6-16-13-7-10(15)3-4-11(12)13/h3-7,9H,2,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyUYEORZPYPDZWJV-UHFFFAOYSA-N
XLogP3.41
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(7-chloroquinolin-4-yl)amino]methyl]butanoic acid?
The IUPAC name of 2-[[(7-chloroquinolin-4-yl)amino]methyl]butanoic acid (CID 65223950) is 2-[[(7-chloroquinolin-4-yl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[(7-chloroquinolin-4-yl)amino]methyl]butanoic acid?
The canonical SMILES for 2-[[(7-chloroquinolin-4-yl)amino]methyl]butanoic acid is CCC(CNc1ccnc2cc(Cl)ccc12)C(=O)O.
What is the InChIKey of 2-[[(7-chloroquinolin-4-yl)amino]methyl]butanoic acid?
The InChIKey is UYEORZPYPDZWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-2-9(14(18)19)8-17-12-5-6-16-13-7-10(15)3-4-11(12)13/h3-7,9H,2,8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[(7-chloroquinolin-4-yl)amino]methyl]butanoic acid?
2-[[(7-chloroquinolin-4-yl)amino]methyl]butanoic acid has a molecular weight of 278.74 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(7-chloroquinolin-4-yl)amino]methyl]butanoic acid is sourced from PubChem (CID 65223950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).