2-(3-benzyl-6-methyl-4-oxoquinolin-1-yl)acetic acid

C19H17NO3 — CID 141141284

IUPAC2-(3-benzyl-6-methyl-4-oxoquinolin-1-yl)acetic acid
SMILESCc1ccc2c(c1)c(=O)c(Cc1ccccc1)cn2CC(=O)O
InChIInChI=1S/C19H17NO3/c1-13-7-8-17-16(9-13)19(23)15(11-20(17)12-18(21)22)10-14-5-3-2-4-6-14/h2-9,11H,10,12H2,1H3,(H,21,22)
InChIKeySORBESJLTFBGMN-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.99
Rot. Bonds4

About 2-(3-benzyl-6-methyl-4-oxoquinolin-1-yl)acetic acid

2-(3-benzyl-6-methyl-4-oxoquinolin-1-yl)acetic acid (PubChem CID 141141284) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-(3-benzyl-6-methyl-4-oxoquinolin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-benzyl-6-methyl-4-oxoquinolin-1-yl)acetic acid
PubChem CID141141284
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name2-(3-benzyl-6-methyl-4-oxoquinolin-1-yl)acetic acid
SMILESCc1ccc2c(c1)c(=O)c(Cc1ccccc1)cn2CC(=O)O
InChIInChI=1S/C19H17NO3/c1-13-7-8-17-16(9-13)19(23)15(11-20(17)12-18(21)22)10-14-5-3-2-4-6-14/h2-9,11H,10,12H2,1H3,(H,21,22)
InChIKeySORBESJLTFBGMN-UHFFFAOYSA-N
XLogP2.99
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-6-methyl-4-oxoquinolin-1-yl)acetic acid?
The IUPAC name of 2-(3-benzyl-6-methyl-4-oxoquinolin-1-yl)acetic acid (CID 141141284) is 2-(3-benzyl-6-methyl-4-oxoquinolin-1-yl)acetic acid.
What is the SMILES notation for 2-(3-benzyl-6-methyl-4-oxoquinolin-1-yl)acetic acid?
The canonical SMILES for 2-(3-benzyl-6-methyl-4-oxoquinolin-1-yl)acetic acid is Cc1ccc2c(c1)c(=O)c(Cc1ccccc1)cn2CC(=O)O.
What is the InChIKey of 2-(3-benzyl-6-methyl-4-oxoquinolin-1-yl)acetic acid?
The InChIKey is SORBESJLTFBGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-13-7-8-17-16(9-13)19(23)15(11-20(17)12-18(21)22)10-14-5-3-2-4-6-14/h2-9,11H,10,12H2,1H3,(H,21,22).
What are the key properties of 2-(3-benzyl-6-methyl-4-oxoquinolin-1-yl)acetic acid?
2-(3-benzyl-6-methyl-4-oxoquinolin-1-yl)acetic acid has a molecular weight of 307.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-6-methyl-4-oxoquinolin-1-yl)acetic acid is sourced from PubChem (CID 141141284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).