2-(8-chloro-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid

C18H18ClNO2 — CID 18959579

IUPAC2-(8-chloro-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid
SMILESCN1c2c(Cl)cc(CC(=O)O)cc2CCC1c1ccccc1
InChIInChI=1S/C18H18ClNO2/c1-20-16(13-5-3-2-4-6-13)8-7-14-9-12(11-17(21)22)10-15(19)18(14)20/h2-6,9-10,16H,7-8,11H2,1H3,(H,21,22)
InChIKeyXULLMBRHLBRDLY-UHFFFAOYSA-N
MW315.80 g/mol
LogP4.09
Rot. Bonds3

About 2-(8-chloro-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid

2-(8-chloro-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid (PubChem CID 18959579) has the molecular formula C18H18ClNO2 and a molecular weight of 315.80 g/mol. Its IUPAC name is 2-(8-chloro-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(8-chloro-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid
PubChem CID18959579
Molecular FormulaC18H18ClNO2
Molecular Weight315.80 g/mol
Exact Mass315.10
IUPAC Name2-(8-chloro-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid
SMILESCN1c2c(Cl)cc(CC(=O)O)cc2CCC1c1ccccc1
InChIInChI=1S/C18H18ClNO2/c1-20-16(13-5-3-2-4-6-13)8-7-14-9-12(11-17(21)22)10-15(19)18(14)20/h2-6,9-10,16H,7-8,11H2,1H3,(H,21,22)
InChIKeyXULLMBRHLBRDLY-UHFFFAOYSA-N
XLogP4.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid?
The IUPAC name of 2-(8-chloro-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid (CID 18959579) is 2-(8-chloro-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid.
What is the SMILES notation for 2-(8-chloro-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid?
The canonical SMILES for 2-(8-chloro-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid is CN1c2c(Cl)cc(CC(=O)O)cc2CCC1c1ccccc1.
What is the InChIKey of 2-(8-chloro-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid?
The InChIKey is XULLMBRHLBRDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO2/c1-20-16(13-5-3-2-4-6-13)8-7-14-9-12(11-17(21)22)10-15(19)18(14)20/h2-6,9-10,16H,7-8,11H2,1H3,(H,21,22).
What are the key properties of 2-(8-chloro-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid?
2-(8-chloro-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid has a molecular weight of 315.80 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloro-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid is sourced from PubChem (CID 18959579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).