2,7,7-trimethyl-5-oxo-4-phenyl-6,8-dihydroquinoline-3-carboxylic acid

C19H19NO3 — CID 778088

IUPAC2,7,7-trimethyl-5-oxo-4-phenyl-6,8-dihydroquinoline-3-carboxylic acid
SMILESCc1nc2c(c(-c3ccccc3)c1C(=O)O)C(=O)CC(C)(C)C2
InChIInChI=1S/C19H19NO3/c1-11-15(18(22)23)16(12-7-5-4-6-8-12)17-13(20-11)9-19(2,3)10-14(17)21/h4-8H,9-10H2,1-3H3,(H,22,23)
InChIKeyJZLMPSDKOSFIQZ-UHFFFAOYSA-N
MW309.36 g/mol
LogP3.91
Rot. Bonds2

About 2,7,7-trimethyl-5-oxo-4-phenyl-6,8-dihydroquinoline-3-carboxylic acid

2,7,7-trimethyl-5-oxo-4-phenyl-6,8-dihydroquinoline-3-carboxylic acid (PubChem CID 778088) has the molecular formula C19H19NO3 and a molecular weight of 309.36 g/mol. Its IUPAC name is 2,7,7-trimethyl-5-oxo-4-phenyl-6,8-dihydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2,7,7-trimethyl-5-oxo-4-phenyl-6,8-dihydroquinoline-3-carboxylic acid
PubChem CID778088
Molecular FormulaC19H19NO3
Molecular Weight309.36 g/mol
Exact Mass309.14
IUPAC Name2,7,7-trimethyl-5-oxo-4-phenyl-6,8-dihydroquinoline-3-carboxylic acid
SMILESCc1nc2c(c(-c3ccccc3)c1C(=O)O)C(=O)CC(C)(C)C2
InChIInChI=1S/C19H19NO3/c1-11-15(18(22)23)16(12-7-5-4-6-8-12)17-13(20-11)9-19(2,3)10-14(17)21/h4-8H,9-10H2,1-3H3,(H,22,23)
InChIKeyJZLMPSDKOSFIQZ-UHFFFAOYSA-N
XLogP3.91
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-6-phenylpyridine-3-carboxylic acid
CID 822960
2-Methyl-3-quinolinecarboxylic acid
CID 1481999
2,7-Dimethylquinoline-3-carboxylic acid
CID 818247
5-(Aminomethyl)-2-Methyl-4-(4-Methylphenyl)-6-(2-Methylpropyl)pyridine-3-Carboxic Acid
CID 11220682
Ethyl 5,6,7,8-tetrahydro-2,7,7-trimethyl-5-oxo-4-phenyl-3-quinolinecarboxylate
CID 630757
Ethyl 4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-5,6,7,8-tetrahydro-3-quinolinecarboxylate
CID 1068774
2-Ethylquinoline-3-carboxylic acid
CID 17933414
(S)-(4-cyclohexyl-2-cyclopentyl-5-hydroxy-7,7-dimethyl-5,6,7,8-tetrahydroquinolin-3-yl)(4-(trifluoromethyl)phenyl)methanone
CID 46880281
[(5S)-2-cyclopentyl-5-hydroxy-4-propylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46880880
(S)-(2-cyclopentyl-5-hydroxy-4-isopropyl-7,7-dimethyl-5,6,7,8-tetrahydroquinolin-3-yl)(4-(trifluoromethyl)phenyl)methanone
CID 46880927
[(5S)-2-cyclopentyl-5-hydroxy-4-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46880928
[(5S)-2,4-Dicyclopentyl-5-hydroxy-7,7-dimethyl-5,6,7,8-tetrahydroquinolin-3-yl](4-trifluoromethylphenyl)methanone
CID 46880965

Frequently Asked Questions

What is the IUPAC name of 2,7,7-trimethyl-5-oxo-4-phenyl-6,8-dihydroquinoline-3-carboxylic acid?
The IUPAC name of 2,7,7-trimethyl-5-oxo-4-phenyl-6,8-dihydroquinoline-3-carboxylic acid (CID 778088) is 2,7,7-trimethyl-5-oxo-4-phenyl-6,8-dihydroquinoline-3-carboxylic acid.
What is the SMILES notation for 2,7,7-trimethyl-5-oxo-4-phenyl-6,8-dihydroquinoline-3-carboxylic acid?
The canonical SMILES for 2,7,7-trimethyl-5-oxo-4-phenyl-6,8-dihydroquinoline-3-carboxylic acid is Cc1nc2c(c(-c3ccccc3)c1C(=O)O)C(=O)CC(C)(C)C2.
What is the InChIKey of 2,7,7-trimethyl-5-oxo-4-phenyl-6,8-dihydroquinoline-3-carboxylic acid?
The InChIKey is JZLMPSDKOSFIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-11-15(18(22)23)16(12-7-5-4-6-8-12)17-13(20-11)9-19(2,3)10-14(17)21/h4-8H,9-10H2,1-3H3,(H,22,23).
What are the key properties of 2,7,7-trimethyl-5-oxo-4-phenyl-6,8-dihydroquinoline-3-carboxylic acid?
2,7,7-trimethyl-5-oxo-4-phenyl-6,8-dihydroquinoline-3-carboxylic acid has a molecular weight of 309.36 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,7-trimethyl-5-oxo-4-phenyl-6,8-dihydroquinoline-3-carboxylic acid is sourced from PubChem (CID 778088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).