2-(1-acetyl-6-chloro-3,4-dihydro-2H-quinolin-4-yl)acetic acid

C13H14ClNO3 — CID 82625253

IUPAC2-(1-acetyl-6-chloro-3,4-dihydro-2H-quinolin-4-yl)acetic acid
SMILESCC(=O)N1CCC(CC(=O)O)c2cc(Cl)ccc21
InChIInChI=1S/C13H14ClNO3/c1-8(16)15-5-4-9(6-13(17)18)11-7-10(14)2-3-12(11)15/h2-3,7,9H,4-6H2,1H3,(H,17,18)
InChIKeyPBAMVOBXPVXIMA-UHFFFAOYSA-N
MW267.71 g/mol
LogP2.65
Rot. Bonds2

About 2-(1-acetyl-6-chloro-3,4-dihydro-2H-quinolin-4-yl)acetic acid

2-(1-acetyl-6-chloro-3,4-dihydro-2H-quinolin-4-yl)acetic acid (PubChem CID 82625253) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is 2-(1-acetyl-6-chloro-3,4-dihydro-2H-quinolin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1-acetyl-6-chloro-3,4-dihydro-2H-quinolin-4-yl)acetic acid
PubChem CID82625253
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Name2-(1-acetyl-6-chloro-3,4-dihydro-2H-quinolin-4-yl)acetic acid
SMILESCC(=O)N1CCC(CC(=O)O)c2cc(Cl)ccc21
InChIInChI=1S/C13H14ClNO3/c1-8(16)15-5-4-9(6-13(17)18)11-7-10(14)2-3-12(11)15/h2-3,7,9H,4-6H2,1H3,(H,17,18)
InChIKeyPBAMVOBXPVXIMA-UHFFFAOYSA-N
XLogP2.65
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-chloro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetic acid
CID 84634747
1-[6-(3-chlorophenoxy)-4-ethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 142306751
2-(6-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid
CID 83838175
2-(1-acetyl-2,3-dihydroindol-3-yl)acetic acid
CID 44720734
1-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-ethylbutan-1-one
CID 110636328
1-(3-amino-6-chloro-2,3-dihydroindol-1-yl)ethanone
CID 83754353
2-(1-acetyl-9-fluoro-2,3,4,5-tetrahydro-1-benzazepin-5-yl)acetic acid
CID 82624858
2-(1-acetyl-7-fluoro-2,3,4,5-tetrahydro-1-benzazepin-4-yl)acetic acid
CID 82624855
2-(1-acetyl-5,8-dimethyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid
CID 82623979
2-(1-acetylpiperidin-4-yl)-4-chlorobenzaldehyde
CID 88817221
1-acetyl-6-chloro-N-isoquinolin-4-yl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 156906871
1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 59657880

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetyl-6-chloro-3,4-dihydro-2H-quinolin-4-yl)acetic acid?
The IUPAC name of 2-(1-acetyl-6-chloro-3,4-dihydro-2H-quinolin-4-yl)acetic acid (CID 82625253) is 2-(1-acetyl-6-chloro-3,4-dihydro-2H-quinolin-4-yl)acetic acid.
What is the SMILES notation for 2-(1-acetyl-6-chloro-3,4-dihydro-2H-quinolin-4-yl)acetic acid?
The canonical SMILES for 2-(1-acetyl-6-chloro-3,4-dihydro-2H-quinolin-4-yl)acetic acid is CC(=O)N1CCC(CC(=O)O)c2cc(Cl)ccc21.
What is the InChIKey of 2-(1-acetyl-6-chloro-3,4-dihydro-2H-quinolin-4-yl)acetic acid?
The InChIKey is PBAMVOBXPVXIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3/c1-8(16)15-5-4-9(6-13(17)18)11-7-10(14)2-3-12(11)15/h2-3,7,9H,4-6H2,1H3,(H,17,18).
What are the key properties of 2-(1-acetyl-6-chloro-3,4-dihydro-2H-quinolin-4-yl)acetic acid?
2-(1-acetyl-6-chloro-3,4-dihydro-2H-quinolin-4-yl)acetic acid has a molecular weight of 267.71 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetyl-6-chloro-3,4-dihydro-2H-quinolin-4-yl)acetic acid is sourced from PubChem (CID 82625253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).