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

C17H26N2O2 — CID 62095154

IUPAC4-methyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]pentanoic acid
SMILESCC(C)CC(NCc1ccc2c(c1)CCCN2C)C(=O)O
InChIInChI=1S/C17H26N2O2/c1-12(2)9-15(17(20)21)18-11-13-6-7-16-14(10-13)5-4-8-19(16)3/h6-7,10,12,15,18H,4-5,8-9,11H2,1-3H3,(H,20,21)
InChIKeyNIGHGLZQFOYATI-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.66
Rot. Bonds6

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

4-methyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]pentanoic acid (PubChem CID 62095154) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-methyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]pentanoic acid
PubChem CID62095154
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-methyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]pentanoic acid
SMILESCC(C)CC(NCc1ccc2c(c1)CCCN2C)C(=O)O
InChIInChI=1S/C17H26N2O2/c1-12(2)9-15(17(20)21)18-11-13-6-7-16-14(10-13)5-4-8-19(16)3/h6-7,10,12,15,18H,4-5,8-9,11H2,1-3H3,(H,20,21)
InChIKeyNIGHGLZQFOYATI-UHFFFAOYSA-N
XLogP2.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
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

2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propanoic acid
CID 62096350
4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentan-2-amine
CID 62096505
2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]-N-propylpropanamide
CID 62097569
6-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]heptan-2-amine
CID 63421316
(2R)-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]butan-1-ol
CID 113498869
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
CID 51099812
(1S)-1-cyclohexyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine
CID 81390953
(2S)-2-amino-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentanamide
CID 110482520
1,1-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea
CID 110478717
4,4-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]pentan-1-ol
CID 106349009
1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propyl]pyrrolidin-2-one
CID 62096164
3-(2-hydroxyphenyl)-2-[[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetyl]amino]propanoic acid
CID 167928446

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]pentanoic acid (CID 62095154) is 4-methyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]pentanoic acid is CC(C)CC(NCc1ccc2c(c1)CCCN2C)C(=O)O.
What is the InChIKey of 4-methyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]pentanoic acid?
The InChIKey is NIGHGLZQFOYATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(2)9-15(17(20)21)18-11-13-6-7-16-14(10-13)5-4-8-19(16)3/h6-7,10,12,15,18H,4-5,8-9,11H2,1-3H3,(H,20,21).
What are the key properties of 4-methyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]pentanoic acid?
4-methyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]pentanoic acid has a molecular weight of 290.41 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]pentanoic acid is sourced from PubChem (CID 62095154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).