2-[8-chloro-3-[(4-chlorophenyl)methyl]-2-methyl-4-oxo-1H-quinolin-5-yl]acetic acid

C19H15Cl2NO3 — CID 68780709

IUPAC2-[8-chloro-3-[(4-chlorophenyl)methyl]-2-methyl-4-oxo-1H-quinolin-5-yl]acetic acid
SMILESCc1[nH]c2c(Cl)ccc(CC(=O)O)c2c(=O)c1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H15Cl2NO3/c1-10-14(8-11-2-5-13(20)6-3-11)19(25)17-12(9-16(23)24)4-7-15(21)18(17)22-10/h2-7H,8-9H2,1H3,(H,22,25)(H,23,24)
InChIKeyUZTGEGYIEPVGHM-UHFFFAOYSA-N
MW376.24 g/mol
LogP4.36
Rot. Bonds4

About 2-[8-chloro-3-[(4-chlorophenyl)methyl]-2-methyl-4-oxo-1H-quinolin-5-yl]acetic acid

2-[8-chloro-3-[(4-chlorophenyl)methyl]-2-methyl-4-oxo-1H-quinolin-5-yl]acetic acid (PubChem CID 68780709) has the molecular formula C19H15Cl2NO3 and a molecular weight of 376.24 g/mol. Its IUPAC name is 2-[8-chloro-3-[(4-chlorophenyl)methyl]-2-methyl-4-oxo-1H-quinolin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[8-chloro-3-[(4-chlorophenyl)methyl]-2-methyl-4-oxo-1H-quinolin-5-yl]acetic acid
PubChem CID68780709
Molecular FormulaC19H15Cl2NO3
Molecular Weight376.24 g/mol
Exact Mass375.04
IUPAC Name2-[8-chloro-3-[(4-chlorophenyl)methyl]-2-methyl-4-oxo-1H-quinolin-5-yl]acetic acid
SMILESCc1[nH]c2c(Cl)ccc(CC(=O)O)c2c(=O)c1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H15Cl2NO3/c1-10-14(8-11-2-5-13(20)6-3-11)19(25)17-12(9-16(23)24)4-7-15(21)18(17)22-10/h2-7H,8-9H2,1H3,(H,22,25)(H,23,24)
InChIKeyUZTGEGYIEPVGHM-UHFFFAOYSA-N
XLogP4.36
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[8-chloro-3-[(4-chlorophenyl)methyl]-2-methyl-4-oxo-1H-quinolin-5-yl]acetic acid?
The IUPAC name of 2-[8-chloro-3-[(4-chlorophenyl)methyl]-2-methyl-4-oxo-1H-quinolin-5-yl]acetic acid (CID 68780709) is 2-[8-chloro-3-[(4-chlorophenyl)methyl]-2-methyl-4-oxo-1H-quinolin-5-yl]acetic acid.
What is the SMILES notation for 2-[8-chloro-3-[(4-chlorophenyl)methyl]-2-methyl-4-oxo-1H-quinolin-5-yl]acetic acid?
The canonical SMILES for 2-[8-chloro-3-[(4-chlorophenyl)methyl]-2-methyl-4-oxo-1H-quinolin-5-yl]acetic acid is Cc1[nH]c2c(Cl)ccc(CC(=O)O)c2c(=O)c1Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[8-chloro-3-[(4-chlorophenyl)methyl]-2-methyl-4-oxo-1H-quinolin-5-yl]acetic acid?
The InChIKey is UZTGEGYIEPVGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO3/c1-10-14(8-11-2-5-13(20)6-3-11)19(25)17-12(9-16(23)24)4-7-15(21)18(17)22-10/h2-7H,8-9H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 2-[8-chloro-3-[(4-chlorophenyl)methyl]-2-methyl-4-oxo-1H-quinolin-5-yl]acetic acid?
2-[8-chloro-3-[(4-chlorophenyl)methyl]-2-methyl-4-oxo-1H-quinolin-5-yl]acetic acid has a molecular weight of 376.24 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-chloro-3-[(4-chlorophenyl)methyl]-2-methyl-4-oxo-1H-quinolin-5-yl]acetic acid is sourced from PubChem (CID 68780709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).