(3S)-3-methyl-6-[2-methyl-1-[2-(1-methylpiperidin-4-yl)quinolin-7-yl]propan-2-yl]-3,4-dihydro-2H-pyridine-1-carboxylic acid

C26H35N3O2 — CID 175470935

IUPAC(3S)-3-methyl-6-[2-methyl-1-[2-(1-methylpiperidin-4-yl)quinolin-7-yl]propan-2-yl]-3,4-dihydro-2H-pyridine-1-carboxylic acid
SMILESC[C@H]1CC=C(C(C)(C)Cc2ccc3ccc(C4CCN(C)CC4)nc3c2)N(C(=O)O)C1
InChIInChI=1S/C26H35N3O2/c1-18-5-10-24(29(17-18)25(30)31)26(2,3)16-19-6-7-20-8-9-22(27-23(20)15-19)21-11-13-28(4)14-12-21/h6-10,15,18,21H,5,11-14,16-17H2,1-4H3,(H,30,31)/t18-/m0/s1
InChIKeyULFKCAGAFHBDHI-SFHVURJKSA-N
MW421.59 g/mol
LogP5.52
Rot. Bonds4

About (3S)-3-methyl-6-[2-methyl-1-[2-(1-methylpiperidin-4-yl)quinolin-7-yl]propan-2-yl]-3,4-dihydro-2H-pyridine-1-carboxylic acid

(3S)-3-methyl-6-[2-methyl-1-[2-(1-methylpiperidin-4-yl)quinolin-7-yl]propan-2-yl]-3,4-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 175470935) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is (3S)-3-methyl-6-[2-methyl-1-[2-(1-methylpiperidin-4-yl)quinolin-7-yl]propan-2-yl]-3,4-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-methyl-6-[2-methyl-1-[2-(1-methylpiperidin-4-yl)quinolin-7-yl]propan-2-yl]-3,4-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID175470935
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC Name(3S)-3-methyl-6-[2-methyl-1-[2-(1-methylpiperidin-4-yl)quinolin-7-yl]propan-2-yl]-3,4-dihydro-2H-pyridine-1-carboxylic acid
SMILESC[C@H]1CC=C(C(C)(C)Cc2ccc3ccc(C4CCN(C)CC4)nc3c2)N(C(=O)O)C1
InChIInChI=1S/C26H35N3O2/c1-18-5-10-24(29(17-18)25(30)31)26(2,3)16-19-6-7-20-8-9-22(27-23(20)15-19)21-11-13-28(4)14-12-21/h6-10,15,18,21H,5,11-14,16-17H2,1-4H3,(H,30,31)/t18-/m0/s1
InChIKeyULFKCAGAFHBDHI-SFHVURJKSA-N
XLogP5.52
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.59
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-methyl-6-[2-methyl-1-[2-(1-methylpiperidin-4-yl)quinolin-7-yl]propan-2-yl]-3,4-dihydro-2H-pyridine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-methylpiperidin-4-yl)-7-[(3S)-3-methyl-1,2,3,4-tetrahydropyridin-6-yl]quinoline
CID 175802649
tert-butyl (3S)-3-methyl-6-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]-3,4-dihydro-2H-pyridine-1-carboxylate
CID 164750948
tert-butyl 3-methyl-6-[3-methyl-2-(1-methylpiperidin-4-yl)quinolin-7-yl]-3,4-dihydro-2H-pyridine-1-carboxylate
CID 164751588
2,2-dimethyl-3-[4-(1-methylazepan-4-yl)phenyl]propanoic acid
CID 117467737
2-cyclopropylquinoline-6-carboxylic acid;hydrochloride
CID 86664097
2-[4-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butanoic acid
CID 116903021
3-methyl-3-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]butanoic acid
CID 116965771
4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine-2-carboxylic acid
CID 116894072
4-(1-methylpiperidin-4-yl)pyrimidine-2-carboxamide
CID 116904091
tert-butyl (3S)-3-methyl-6-[2-(1-methylpyrrolidin-3-yl)indazol-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate
CID 170083473
tert-butyl (3S)-6-[2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]indazol-6-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 176754580
tert-butyl 6-[2-(1,3-dimethylpiperidin-4-yl)indazol-6-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 169113679

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-6-[2-methyl-1-[2-(1-methylpiperidin-4-yl)quinolin-7-yl]propan-2-yl]-3,4-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of (3S)-3-methyl-6-[2-methyl-1-[2-(1-methylpiperidin-4-yl)quinolin-7-yl]propan-2-yl]-3,4-dihydro-2H-pyridine-1-carboxylic acid (CID 175470935) is (3S)-3-methyl-6-[2-methyl-1-[2-(1-methylpiperidin-4-yl)quinolin-7-yl]propan-2-yl]-3,4-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for (3S)-3-methyl-6-[2-methyl-1-[2-(1-methylpiperidin-4-yl)quinolin-7-yl]propan-2-yl]-3,4-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for (3S)-3-methyl-6-[2-methyl-1-[2-(1-methylpiperidin-4-yl)quinolin-7-yl]propan-2-yl]-3,4-dihydro-2H-pyridine-1-carboxylic acid is C[C@H]1CC=C(C(C)(C)Cc2ccc3ccc(C4CCN(C)CC4)nc3c2)N(C(=O)O)C1.
What is the InChIKey of (3S)-3-methyl-6-[2-methyl-1-[2-(1-methylpiperidin-4-yl)quinolin-7-yl]propan-2-yl]-3,4-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is ULFKCAGAFHBDHI-SFHVURJKSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-18-5-10-24(29(17-18)25(30)31)26(2,3)16-19-6-7-20-8-9-22(27-23(20)15-19)21-11-13-28(4)14-12-21/h6-10,15,18,21H,5,11-14,16-17H2,1-4H3,(H,30,31)/t18-/m0/s1.
What are the key properties of (3S)-3-methyl-6-[2-methyl-1-[2-(1-methylpiperidin-4-yl)quinolin-7-yl]propan-2-yl]-3,4-dihydro-2H-pyridine-1-carboxylic acid?
(3S)-3-methyl-6-[2-methyl-1-[2-(1-methylpiperidin-4-yl)quinolin-7-yl]propan-2-yl]-3,4-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 421.59 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-6-[2-methyl-1-[2-(1-methylpiperidin-4-yl)quinolin-7-yl]propan-2-yl]-3,4-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 175470935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).