5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

C10H9Cl2NO2 — CID 15168460

IUPAC5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
SMILESO=C(O)C1CCc2c(Cl)cc(Cl)cc2N1
InChIInChI=1S/C10H9Cl2NO2/c11-5-3-7(12)6-1-2-8(10(14)15)13-9(6)4-5/h3-4,8,13H,1-2H2,(H,14,15)
InChIKeyOCQTWVCRQTZDDS-UHFFFAOYSA-N
MW246.09 g/mol
LogP2.80
Rot. Bonds1

About 5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (PubChem CID 15168460) has the molecular formula C10H9Cl2NO2 and a molecular weight of 246.09 g/mol. Its IUPAC name is 5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid.

Molecular Properties

Compound Name5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
PubChem CID15168460
Molecular FormulaC10H9Cl2NO2
Molecular Weight246.09 g/mol
Exact Mass245.00
IUPAC Name5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
SMILESO=C(O)C1CCc2c(Cl)cc(Cl)cc2N1
InChIInChI=1S/C10H9Cl2NO2/c11-5-3-7(12)6-1-2-8(10(14)15)13-9(6)4-5/h3-4,8,13H,1-2H2,(H,14,15)
InChIKeyOCQTWVCRQTZDDS-UHFFFAOYSA-N
XLogP2.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.09
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

L-689,560
CID 121918
(2R,4S)-4-[[anilino(oxo)methyl]amino]-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 6604749
(2R,4S)-4-[[2-[4-(2-amino-2-carboxyethyl)phenyl]acetyl]amino]-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 44353287
6,8,9-trichloro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
CID 2975102
GW 468816
CID 10303232
7-chloro-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
CID 3757934
Cgp 61594
CID 10025114
4-[[Anilino(oxo)methyl]amino]-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 4267713
(4E)-4-[2-(4-acetamidoanilino)-2-oxoethylidene]-5,7-dichloro-2,3-dihydro-1H-quinoline-2-carboxylic acid
CID 9845769
(4E)-5,7-dichloro-4-[2-[4-[(2-methoxyacetyl)amino]anilino]-2-oxoethylidene]-2,3-dihydro-1H-quinoline-2-carboxylic acid
CID 9912264
5,7-Dichloro-4-(3-p-tolyl-ureido)-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid
CID 10000692
(2R,4S)-4-carbamoyl-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 15168486

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The IUPAC name of 5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (CID 15168460) is 5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid.
What is the SMILES notation for 5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The canonical SMILES for 5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid is O=C(O)C1CCc2c(Cl)cc(Cl)cc2N1.
What is the InChIKey of 5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The InChIKey is OCQTWVCRQTZDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO2/c11-5-3-7(12)6-1-2-8(10(14)15)13-9(6)4-5/h3-4,8,13H,1-2H2,(H,14,15).
What are the key properties of 5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid has a molecular weight of 246.09 g/mol, XLogP of 2.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid is sourced from PubChem (CID 15168460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).