5-amino-3-chloro-7,8-dihydro-6H-quinoline-5-carboxylic acid

C10H11ClN2O2 — CID 10878883

IUPAC5-amino-3-chloro-7,8-dihydro-6H-quinoline-5-carboxylic acid
SMILESNC1(C(=O)O)CCCc2ncc(Cl)cc21
InChIInChI=1S/C10H11ClN2O2/c11-6-4-7-8(13-5-6)2-1-3-10(7,12)9(14)15/h4-5H,1-3,12H2,(H,14,15)
InChIKeyXQBBSUKFUKLDFA-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.31
Rot. Bonds1

About 5-amino-3-chloro-7,8-dihydro-6H-quinoline-5-carboxylic acid

5-amino-3-chloro-7,8-dihydro-6H-quinoline-5-carboxylic acid (PubChem CID 10878883) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 5-amino-3-chloro-7,8-dihydro-6H-quinoline-5-carboxylic acid.

Molecular Properties

Compound Name5-amino-3-chloro-7,8-dihydro-6H-quinoline-5-carboxylic acid
PubChem CID10878883
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name5-amino-3-chloro-7,8-dihydro-6H-quinoline-5-carboxylic acid
SMILESNC1(C(=O)O)CCCc2ncc(Cl)cc21
InChIInChI=1S/C10H11ClN2O2/c11-6-4-7-8(13-5-6)2-1-3-10(7,12)9(14)15/h4-5H,1-3,12H2,(H,14,15)
InChIKeyXQBBSUKFUKLDFA-UHFFFAOYSA-N
XLogP1.31
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-Chloro-2-methylpyridin-3-yl)acetic acid
CID 129918864
(2R)-2-(4-chlorophenyl)-3-pyridin-2-ylpropanoic acid
CID 42037402
2-Amino-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid
CID 2768735
5-Fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxylic acid
CID 135331411
4-Amino-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanoic acid
CID 141018813
(2S)-2-amino-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid
CID 1486958
(2R)-2-amino-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoic acid
CID 1486959
(2S)-2-azaniumyl-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoate
CID 7084833
(2R)-2-azaniumyl-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoate
CID 7084834
2-[3-Chloro-5-(2-fluorophenyl)-2-pyridinyl]acetic acid
CID 46314259
2-[3-Chloro-5-(3-fluorophenyl)-2-pyridinyl]acetic acid
CID 46314260
2-[3-Chloro-5-(4-fluorophenyl)-2-pyridinyl]acetic acid
CID 46314261

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-7,8-dihydro-6H-quinoline-5-carboxylic acid?
The IUPAC name of 5-amino-3-chloro-7,8-dihydro-6H-quinoline-5-carboxylic acid (CID 10878883) is 5-amino-3-chloro-7,8-dihydro-6H-quinoline-5-carboxylic acid.
What is the SMILES notation for 5-amino-3-chloro-7,8-dihydro-6H-quinoline-5-carboxylic acid?
The canonical SMILES for 5-amino-3-chloro-7,8-dihydro-6H-quinoline-5-carboxylic acid is NC1(C(=O)O)CCCc2ncc(Cl)cc21.
What is the InChIKey of 5-amino-3-chloro-7,8-dihydro-6H-quinoline-5-carboxylic acid?
The InChIKey is XQBBSUKFUKLDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c11-6-4-7-8(13-5-6)2-1-3-10(7,12)9(14)15/h4-5H,1-3,12H2,(H,14,15).
What are the key properties of 5-amino-3-chloro-7,8-dihydro-6H-quinoline-5-carboxylic acid?
5-amino-3-chloro-7,8-dihydro-6H-quinoline-5-carboxylic acid has a molecular weight of 226.66 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-7,8-dihydro-6H-quinoline-5-carboxylic acid is sourced from PubChem (CID 10878883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).