2-(5-chloroquinolin-8-yl)-2-[formyl(propyl)amino]acetic acid

C15H15ClN2O3 — CID 115959665

IUPAC2-(5-chloroquinolin-8-yl)-2-[formyl(propyl)amino]acetic acid
SMILESCCCN(C=O)C(C(=O)O)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H15ClN2O3/c1-2-8-18(9-19)14(15(20)21)11-5-6-12(16)10-4-3-7-17-13(10)11/h3-7,9,14H,2,8H2,1H3,(H,20,21)
InChIKeyVWIGBYCVTNPZLF-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.88
Rot. Bonds6

About 2-(5-chloroquinolin-8-yl)-2-[formyl(propyl)amino]acetic acid

2-(5-chloroquinolin-8-yl)-2-[formyl(propyl)amino]acetic acid (PubChem CID 115959665) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 2-(5-chloroquinolin-8-yl)-2-[formyl(propyl)amino]acetic acid.

Molecular Properties

Compound Name2-(5-chloroquinolin-8-yl)-2-[formyl(propyl)amino]acetic acid
PubChem CID115959665
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name2-(5-chloroquinolin-8-yl)-2-[formyl(propyl)amino]acetic acid
SMILESCCCN(C=O)C(C(=O)O)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H15ClN2O3/c1-2-8-18(9-19)14(15(20)21)11-5-6-12(16)10-4-3-7-17-13(10)11/h3-7,9,14H,2,8H2,1H3,(H,20,21)
InChIKeyVWIGBYCVTNPZLF-UHFFFAOYSA-N
XLogP2.88
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloroquinolin-8-yl)-2-[cyclopropyl(formyl)amino]acetic acid
CID 115959667
4-amino-3-(5-chloroquinolin-8-yl)pentanoic acid
CID 112618653
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-[formyl(propyl)amino]acetic acid
CID 83089783
methyl 2-(5-chloroquinolin-8-yl)-2-(prop-2-enylamino)acetate
CID 115959645
2-[(5-chloroquinolin-8-yl)amino]propanoic acid
CID 66172326
methyl 3-(5-chloroquinolin-8-yl)-3-(propylamino)propanoate
CID 115960570
1-(5-chloroquinolin-8-yl)-2-phenylethanol
CID 112618238
2-[ethyl(formyl)amino]-2-naphthalen-1-ylacetic acid
CID 63688328
methyl (3R)-3-amino-3-(5-chloroquinolin-8-yl)propanoate
CID 103940787
methyl (3S)-3-amino-3-(5-chloroquinolin-8-yl)propanoate
CID 113355755
ethyl 4-(5-chloroquinolin-8-yl)-4-hydroxybutanoate
CID 115960222
2-(5-chloroquinolin-8-yl)-2-(2,2-dimethylhydrazinyl)ethanamine
CID 112617884

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroquinolin-8-yl)-2-[formyl(propyl)amino]acetic acid?
The IUPAC name of 2-(5-chloroquinolin-8-yl)-2-[formyl(propyl)amino]acetic acid (CID 115959665) is 2-(5-chloroquinolin-8-yl)-2-[formyl(propyl)amino]acetic acid.
What is the SMILES notation for 2-(5-chloroquinolin-8-yl)-2-[formyl(propyl)amino]acetic acid?
The canonical SMILES for 2-(5-chloroquinolin-8-yl)-2-[formyl(propyl)amino]acetic acid is CCCN(C=O)C(C(=O)O)c1ccc(Cl)c2cccnc12.
What is the InChIKey of 2-(5-chloroquinolin-8-yl)-2-[formyl(propyl)amino]acetic acid?
The InChIKey is VWIGBYCVTNPZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-2-8-18(9-19)14(15(20)21)11-5-6-12(16)10-4-3-7-17-13(10)11/h3-7,9,14H,2,8H2,1H3,(H,20,21).
What are the key properties of 2-(5-chloroquinolin-8-yl)-2-[formyl(propyl)amino]acetic acid?
2-(5-chloroquinolin-8-yl)-2-[formyl(propyl)amino]acetic acid has a molecular weight of 306.75 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroquinolin-8-yl)-2-[formyl(propyl)amino]acetic acid is sourced from PubChem (CID 115959665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).