2-[3-(7-chloroquinolin-5-yl)-5-methyl-2-oxobenzimidazol-1-yl]acetic acid

C19H14ClN3O3 — CID 59652770

IUPAC2-[3-(7-chloroquinolin-5-yl)-5-methyl-2-oxobenzimidazol-1-yl]acetic acid
SMILESCc1ccc2c(c1)n(-c1cc(Cl)cc3ncccc13)c(=O)n2CC(=O)O
InChIInChI=1S/C19H14ClN3O3/c1-11-4-5-15-17(7-11)23(19(26)22(15)10-18(24)25)16-9-12(20)8-14-13(16)3-2-6-21-14/h2-9H,10H2,1H3,(H,24,25)
InChIKeyVQRXALYWAFUBTC-UHFFFAOYSA-N
MW367.79 g/mol
LogP3.39
Rot. Bonds3

About 2-[3-(7-chloroquinolin-5-yl)-5-methyl-2-oxobenzimidazol-1-yl]acetic acid

2-[3-(7-chloroquinolin-5-yl)-5-methyl-2-oxobenzimidazol-1-yl]acetic acid (PubChem CID 59652770) has the molecular formula C19H14ClN3O3 and a molecular weight of 367.79 g/mol. Its IUPAC name is 2-[3-(7-chloroquinolin-5-yl)-5-methyl-2-oxobenzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(7-chloroquinolin-5-yl)-5-methyl-2-oxobenzimidazol-1-yl]acetic acid
PubChem CID59652770
Molecular FormulaC19H14ClN3O3
Molecular Weight367.79 g/mol
Exact Mass367.07
IUPAC Name2-[3-(7-chloroquinolin-5-yl)-5-methyl-2-oxobenzimidazol-1-yl]acetic acid
SMILESCc1ccc2c(c1)n(-c1cc(Cl)cc3ncccc13)c(=O)n2CC(=O)O
InChIInChI=1S/C19H14ClN3O3/c1-11-4-5-15-17(7-11)23(19(26)22(15)10-18(24)25)16-9-12(20)8-14-13(16)3-2-6-21-14/h2-9H,10H2,1H3,(H,24,25)
InChIKeyVQRXALYWAFUBTC-UHFFFAOYSA-N
XLogP3.39
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.79
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(7-chloroquinolin-5-yl)-5-methyl-2-oxobenzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[3-(7-chloroquinolin-5-yl)-5-methyl-2-oxobenzimidazol-1-yl]acetic acid (CID 59652770) is 2-[3-(7-chloroquinolin-5-yl)-5-methyl-2-oxobenzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(7-chloroquinolin-5-yl)-5-methyl-2-oxobenzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(7-chloroquinolin-5-yl)-5-methyl-2-oxobenzimidazol-1-yl]acetic acid is Cc1ccc2c(c1)n(-c1cc(Cl)cc3ncccc13)c(=O)n2CC(=O)O.
What is the InChIKey of 2-[3-(7-chloroquinolin-5-yl)-5-methyl-2-oxobenzimidazol-1-yl]acetic acid?
The InChIKey is VQRXALYWAFUBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O3/c1-11-4-5-15-17(7-11)23(19(26)22(15)10-18(24)25)16-9-12(20)8-14-13(16)3-2-6-21-14/h2-9H,10H2,1H3,(H,24,25).
What are the key properties of 2-[3-(7-chloroquinolin-5-yl)-5-methyl-2-oxobenzimidazol-1-yl]acetic acid?
2-[3-(7-chloroquinolin-5-yl)-5-methyl-2-oxobenzimidazol-1-yl]acetic acid has a molecular weight of 367.79 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(7-chloroquinolin-5-yl)-5-methyl-2-oxobenzimidazol-1-yl]acetic acid is sourced from PubChem (CID 59652770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).