2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetic acid

C14H15NO3 — CID 66487510

IUPAC2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetic acid
SMILESCc1cc(C)c2c(c1)c(=O)c(C)cn2CC(=O)O
InChIInChI=1S/C14H15NO3/c1-8-4-9(2)13-11(5-8)14(18)10(3)6-15(13)7-12(16)17/h4-6H,7H2,1-3H3,(H,16,17)
InChIKeyQTHYDBUGBRAISY-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.01
Rot. Bonds2

About 2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetic acid

2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetic acid (PubChem CID 66487510) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetic acid
PubChem CID66487510
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetic acid
SMILESCc1cc(C)c2c(c1)c(=O)c(C)cn2CC(=O)O
InChIInChI=1S/C14H15NO3/c1-8-4-9(2)13-11(5-8)14(18)10(3)6-15(13)7-12(16)17/h4-6H,7H2,1-3H3,(H,16,17)
InChIKeyQTHYDBUGBRAISY-UHFFFAOYSA-N
XLogP2.01
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetate
CID 66487519
1-(cyclopropylmethyl)-6,8-dimethyl-4-oxoquinoline-3-carboxylic acid
CID 82247569
2-(4-chloro-2-methyl-9-oxoacridin-10-yl)acetic acid
CID 138657966
2-(4,7-dimethylindol-1-yl)acetic acid
CID 83944897
2-(6,8-dimethyl-4-oxoquinolin-1-yl)acetohydrazide
CID 46397884
methyl 2-[3-(3-aminopropyl)-5,7-dimethylindol-1-yl]acetate
CID 83948562
1-[1-(3-hydroxypropyl)-5,7-dimethylindol-3-yl]ethanone
CID 83947605
2-(3-benzyl-6-methyl-4-oxoquinolin-1-yl)acetic acid
CID 141141284
3-(6,8-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid
CID 82502021
2-[3-(3-hydroxypropyl)-4,6-dimethylindol-1-yl]acetic acid
CID 83944844
2-[5-(4-methylphenyl)-2-oxo-1-pyridinyl]acetic acid
CID 82117838
2-[4-(dimethylamino)-3,6-dimethyl-9-oxoacridin-10-yl]acetic acid
CID 138657985

Frequently Asked Questions

What is the IUPAC name of 2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetic acid?
The IUPAC name of 2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetic acid (CID 66487510) is 2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetic acid.
What is the SMILES notation for 2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetic acid?
The canonical SMILES for 2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetic acid is Cc1cc(C)c2c(c1)c(=O)c(C)cn2CC(=O)O.
What is the InChIKey of 2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetic acid?
The InChIKey is QTHYDBUGBRAISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-8-4-9(2)13-11(5-8)14(18)10(3)6-15(13)7-12(16)17/h4-6H,7H2,1-3H3,(H,16,17).
What are the key properties of 2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetic acid?
2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetic acid has a molecular weight of 245.28 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetic acid is sourced from PubChem (CID 66487510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).