3-methyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid

C16H21NO3 — CID 62964343

IUPAC3-methyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
SMILESCc1ccc2c(c1)CCCN2C(=O)CC(C)CC(=O)O
InChIInChI=1S/C16H21NO3/c1-11-5-6-14-13(8-11)4-3-7-17(14)15(18)9-12(2)10-16(19)20/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H,19,20)
InChIKeyFBBIMNZOXNUDNA-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.78
Rot. Bonds4

About 3-methyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid

3-methyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid (PubChem CID 62964343) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-methyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name3-methyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
PubChem CID62964343
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name3-methyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
SMILESCc1ccc2c(c1)CCCN2C(=O)CC(C)CC(=O)O
InChIInChI=1S/C16H21NO3/c1-11-5-6-14-13(8-11)4-3-7-17(14)15(18)9-12(2)10-16(19)20/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H,19,20)
InChIKeyFBBIMNZOXNUDNA-UHFFFAOYSA-N
XLogP2.78
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylbutan-1-one
CID 112762073
4-hydroxy-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 79204921
2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-propan-2-ylamino]acetic acid
CID 61186285
(2S)-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid
CID 78967798
2-tert-butylsulfanyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 112762105
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 78776221
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methylpentan-1-one
CID 114873454
N-[(1S)-1-(4-chlorophenyl)-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 52505588
2-anilino-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;hydrochloride
CID 119685862
2-methyl-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 43538734
2-ethyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 112762126
2-(methylamino)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 62638376

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid?
The IUPAC name of 3-methyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid (CID 62964343) is 3-methyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid.
What is the SMILES notation for 3-methyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid?
The canonical SMILES for 3-methyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid is Cc1ccc2c(c1)CCCN2C(=O)CC(C)CC(=O)O.
What is the InChIKey of 3-methyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid?
The InChIKey is FBBIMNZOXNUDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11-5-6-14-13(8-11)4-3-7-17(14)15(18)9-12(2)10-16(19)20/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H,19,20).
What are the key properties of 3-methyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid?
3-methyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid has a molecular weight of 275.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid is sourced from PubChem (CID 62964343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).