4-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrrolidine-3-carboxylic acid

C17H24N2O2 — CID 65063198

IUPAC4-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESCC1CN(Cc2ccc3c(c2)CCCN3C)CC1C(=O)O
InChIInChI=1S/C17H24N2O2/c1-12-9-19(11-15(12)17(20)21)10-13-5-6-16-14(8-13)4-3-7-18(16)2/h5-6,8,12,15H,3-4,7,9-11H2,1-2H3,(H,20,21)
InChIKeyVNHCGYARLYVERD-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.22
Rot. Bonds3

About 4-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrrolidine-3-carboxylic acid

4-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 65063198) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrrolidine-3-carboxylic acid
PubChem CID65063198
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name4-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESCC1CN(Cc2ccc3c(c2)CCCN3C)CC1C(=O)O
InChIInChI=1S/C17H24N2O2/c1-12-9-19(11-15(12)17(20)21)10-13-5-6-16-14(8-13)4-3-7-18(16)2/h5-6,8,12,15H,3-4,7,9-11H2,1-2H3,(H,20,21)
InChIKeyVNHCGYARLYVERD-UHFFFAOYSA-N
XLogP2.22
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 65062998
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 65063414
1-[(3-chloro-4-fluorophenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 81155927
(3S,4S)-1-[(4-carbamoylphenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114086271
[4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]morpholin-2-yl]methanamine
CID 114397914
1-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 65063506
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
CID 51099812
1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 103354763
4-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63722146
1,1-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea
CID 110478717
1-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]propan-2-one
CID 82540729
1-[3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-oxopropyl]piperidine-3-carboxylic acid
CID 82073200

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrrolidine-3-carboxylic acid (CID 65063198) is 4-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrrolidine-3-carboxylic acid is CC1CN(Cc2ccc3c(c2)CCCN3C)CC1C(=O)O.
What is the InChIKey of 4-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is VNHCGYARLYVERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12-9-19(11-15(12)17(20)21)10-13-5-6-16-14(8-13)4-3-7-18(16)2/h5-6,8,12,15H,3-4,7,9-11H2,1-2H3,(H,20,21).
What are the key properties of 4-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrrolidine-3-carboxylic acid?
4-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 288.39 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 65063198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).