4-(2-chloroprop-2-enylamino)quinoline-3-carboxylic acid

C13H11ClN2O2 — CID 113464690

IUPAC4-(2-chloroprop-2-enylamino)quinoline-3-carboxylic acid
SMILESC=C(Cl)CNc1c(C(=O)O)cnc2ccccc12
InChIInChI=1S/C13H11ClN2O2/c1-8(14)6-16-12-9-4-2-3-5-11(9)15-7-10(12)13(17)18/h2-5,7H,1,6H2,(H,15,16)(H,17,18)
InChIKeyQLFGNGXVHLINIW-UHFFFAOYSA-N
MW262.70 g/mol
LogP3.10
Rot. Bonds4

About 4-(2-chloroprop-2-enylamino)quinoline-3-carboxylic acid

4-(2-chloroprop-2-enylamino)quinoline-3-carboxylic acid (PubChem CID 113464690) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 4-(2-chloroprop-2-enylamino)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-chloroprop-2-enylamino)quinoline-3-carboxylic acid
PubChem CID113464690
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name4-(2-chloroprop-2-enylamino)quinoline-3-carboxylic acid
SMILESC=C(Cl)CNc1c(C(=O)O)cnc2ccccc12
InChIInChI=1S/C13H11ClN2O2/c1-8(14)6-16-12-9-4-2-3-5-11(9)15-7-10(12)13(17)18/h2-5,7H,1,6H2,(H,15,16)(H,17,18)
InChIKeyQLFGNGXVHLINIW-UHFFFAOYSA-N
XLogP3.10
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-hydroxycyclobutyl)methylamino]quinoline-3-carboxylic acid
CID 66006604
4-(2-methoxyethylamino)quinoline-3-carboxylic acid
CID 61340793
4-(6-hydroxyhexylamino)quinoline-3-carboxylic acid
CID 107853405
4-(thiophen-2-ylmethylamino)quinoline-3-carboxylic acid
CID 61340797
bis[4-(benzylamino)quinolin-3-yl]methanone
CID 154508571
4-(4-chloroanilino)quinoline-3-carboxylic acid
CID 63537972
4-[3-(cyclopropylamino)propylamino]quinoline-3-carboxylic acid
CID 61404666
4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carboxylic acid
CID 106400814
4-(4-carboxyanilino)quinoline-3-carboxylic acid
CID 7719142
4-(1-cyclopropylethylamino)quinoline-3-carboxylic acid
CID 55090979
4-(oxolan-2-ylmethylamino)quinoline-3-carboxylic acid
CID 61339890
2-[(3-aminoquinolin-4-yl)amino]acetic acid
CID 103963211

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroprop-2-enylamino)quinoline-3-carboxylic acid?
The IUPAC name of 4-(2-chloroprop-2-enylamino)quinoline-3-carboxylic acid (CID 113464690) is 4-(2-chloroprop-2-enylamino)quinoline-3-carboxylic acid.
What is the SMILES notation for 4-(2-chloroprop-2-enylamino)quinoline-3-carboxylic acid?
The canonical SMILES for 4-(2-chloroprop-2-enylamino)quinoline-3-carboxylic acid is C=C(Cl)CNc1c(C(=O)O)cnc2ccccc12.
What is the InChIKey of 4-(2-chloroprop-2-enylamino)quinoline-3-carboxylic acid?
The InChIKey is QLFGNGXVHLINIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-8(14)6-16-12-9-4-2-3-5-11(9)15-7-10(12)13(17)18/h2-5,7H,1,6H2,(H,15,16)(H,17,18).
What are the key properties of 4-(2-chloroprop-2-enylamino)quinoline-3-carboxylic acid?
4-(2-chloroprop-2-enylamino)quinoline-3-carboxylic acid has a molecular weight of 262.70 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroprop-2-enylamino)quinoline-3-carboxylic acid is sourced from PubChem (CID 113464690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).