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

C15H13ClN2O3 — CID 115959667

IUPAC2-(5-chloroquinolin-8-yl)-2-[cyclopropyl(formyl)amino]acetic acid
SMILESO=CN(C1CC1)C(C(=O)O)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H13ClN2O3/c16-12-6-5-11(13-10(12)2-1-7-17-13)14(15(20)21)18(8-19)9-3-4-9/h1-2,5-9,14H,3-4H2,(H,20,21)
InChIKeyFBKXTAPGANFIMO-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.63
Rot. Bonds5

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

2-(5-chloroquinolin-8-yl)-2-[cyclopropyl(formyl)amino]acetic acid (PubChem CID 115959667) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 2-(5-chloroquinolin-8-yl)-2-[cyclopropyl(formyl)amino]acetic acid.

Molecular Properties

Compound Name2-(5-chloroquinolin-8-yl)-2-[cyclopropyl(formyl)amino]acetic acid
PubChem CID115959667
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name2-(5-chloroquinolin-8-yl)-2-[cyclopropyl(formyl)amino]acetic acid
SMILESO=CN(C1CC1)C(C(=O)O)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H13ClN2O3/c16-12-6-5-11(13-10(12)2-1-7-17-13)14(15(20)21)18(8-19)9-3-4-9/h1-2,5-9,14H,3-4H2,(H,20,21)
InChIKeyFBKXTAPGANFIMO-UHFFFAOYSA-N
XLogP2.63
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.63
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-[formyl(propyl)amino]acetic acid
CID 115959665
4-amino-3-(5-chloroquinolin-8-yl)pentanoic acid
CID 112618653
2-[(5-chloroquinolin-8-yl)amino]propanoic acid
CID 66172326
1-(5-chloroquinolin-8-yl)-2,2-difluoroethanol
CID 112618208
1-(5-chloroquinolin-8-yl)-2-phenylethanol
CID 112618238
2-[1-[(5-chloroquinolin-8-yl)methyl]azepan-4-yl]acetic acid
CID 120953605
1-[(5-chloroquinolin-8-yl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 115960560
methyl 3-(5-chloroquinolin-8-yl)-3-hydroxy-2-methylpropanoate
CID 112618441
N-tert-butyl-2-chloro-2-(5-chloroquinolin-8-yl)acetamide
CID 115960338
1-(5-chloroquinolin-8-yl)-N-(cyclopropylmethyl)-N-methylethane-1,2-diamine
CID 115959533
methyl (3S)-3-amino-3-(5-chloroquinolin-8-yl)propanoate
CID 113355755
methyl (3R)-3-amino-3-(5-chloroquinolin-8-yl)propanoate
CID 103940787

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroquinolin-8-yl)-2-[cyclopropyl(formyl)amino]acetic acid?
The IUPAC name of 2-(5-chloroquinolin-8-yl)-2-[cyclopropyl(formyl)amino]acetic acid (CID 115959667) is 2-(5-chloroquinolin-8-yl)-2-[cyclopropyl(formyl)amino]acetic acid.
What is the SMILES notation for 2-(5-chloroquinolin-8-yl)-2-[cyclopropyl(formyl)amino]acetic acid?
The canonical SMILES for 2-(5-chloroquinolin-8-yl)-2-[cyclopropyl(formyl)amino]acetic acid is O=CN(C1CC1)C(C(=O)O)c1ccc(Cl)c2cccnc12.
What is the InChIKey of 2-(5-chloroquinolin-8-yl)-2-[cyclopropyl(formyl)amino]acetic acid?
The InChIKey is FBKXTAPGANFIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-12-6-5-11(13-10(12)2-1-7-17-13)14(15(20)21)18(8-19)9-3-4-9/h1-2,5-9,14H,3-4H2,(H,20,21).
What are the key properties of 2-(5-chloroquinolin-8-yl)-2-[cyclopropyl(formyl)amino]acetic acid?
2-(5-chloroquinolin-8-yl)-2-[cyclopropyl(formyl)amino]acetic acid has a molecular weight of 304.73 g/mol, XLogP of 2.63, 5 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-[cyclopropyl(formyl)amino]acetic acid is sourced from PubChem (CID 115959667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).