methyl (3R)-1-(3-ethyl-2-methylquinolin-4-yl)piperidine-3-carboxylate

C19H24N2O2 — CID 133438071

IUPACmethyl (3R)-1-(3-ethyl-2-methylquinolin-4-yl)piperidine-3-carboxylate
SMILESCCc1c(C)nc2ccccc2c1N1CCC[C@@H](C(=O)OC)C1
InChIInChI=1S/C19H24N2O2/c1-4-15-13(2)20-17-10-6-5-9-16(17)18(15)21-11-7-8-14(12-21)19(22)23-3/h5-6,9-10,14H,4,7-8,11-12H2,1-3H3/t14-/m1/s1
InChIKeyYACHEWXTNITWGJ-CQSZACIVSA-N
MW312.41 g/mol
LogP3.50
Rot. Bonds3

About methyl (3R)-1-(3-ethyl-2-methylquinolin-4-yl)piperidine-3-carboxylate

methyl (3R)-1-(3-ethyl-2-methylquinolin-4-yl)piperidine-3-carboxylate (PubChem CID 133438071) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is methyl (3R)-1-(3-ethyl-2-methylquinolin-4-yl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-1-(3-ethyl-2-methylquinolin-4-yl)piperidine-3-carboxylate
PubChem CID133438071
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Namemethyl (3R)-1-(3-ethyl-2-methylquinolin-4-yl)piperidine-3-carboxylate
SMILESCCc1c(C)nc2ccccc2c1N1CCC[C@@H](C(=O)OC)C1
InChIInChI=1S/C19H24N2O2/c1-4-15-13(2)20-17-10-6-5-9-16(17)18(15)21-11-7-8-14(12-21)19(22)23-3/h5-6,9-10,14H,4,7-8,11-12H2,1-3H3/t14-/m1/s1
InChIKeyYACHEWXTNITWGJ-CQSZACIVSA-N
XLogP3.50
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethyl-2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid
CID 122048463
methyl (3S)-1-(3-methylquinoxalin-2-yl)piperidine-3-carboxylate
CID 133326631
methyl 1-(2-methylquinolin-4-yl)piperidine-3-carboxylate
CID 115538397
methyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-3-yl)acetate
CID 110433990
[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 133438479
methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate
CID 78983917
ethyl 1-[2-(2,4-dimethylquinolin-3-yl)acetyl]piperidine-3-carboxylate
CID 55345323
methyl 1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate
CID 113223222
1-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]pyrrolidin-2-one
CID 138042688
ethyl 1-[2-(trifluoromethyl)quinazolin-4-yl]piperidine-3-carboxylate
CID 56731130
3-ethyl-4-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylquinoline
CID 138042690
N-[1-(2,3-dimethylquinolin-4-yl)piperidin-3-yl]acetamide
CID 84600217

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-1-(3-ethyl-2-methylquinolin-4-yl)piperidine-3-carboxylate?
The IUPAC name of methyl (3R)-1-(3-ethyl-2-methylquinolin-4-yl)piperidine-3-carboxylate (CID 133438071) is methyl (3R)-1-(3-ethyl-2-methylquinolin-4-yl)piperidine-3-carboxylate.
What is the SMILES notation for methyl (3R)-1-(3-ethyl-2-methylquinolin-4-yl)piperidine-3-carboxylate?
The canonical SMILES for methyl (3R)-1-(3-ethyl-2-methylquinolin-4-yl)piperidine-3-carboxylate is CCc1c(C)nc2ccccc2c1N1CCC[C@@H](C(=O)OC)C1.
What is the InChIKey of methyl (3R)-1-(3-ethyl-2-methylquinolin-4-yl)piperidine-3-carboxylate?
The InChIKey is YACHEWXTNITWGJ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-4-15-13(2)20-17-10-6-5-9-16(17)18(15)21-11-7-8-14(12-21)19(22)23-3/h5-6,9-10,14H,4,7-8,11-12H2,1-3H3/t14-/m1/s1.
What are the key properties of methyl (3R)-1-(3-ethyl-2-methylquinolin-4-yl)piperidine-3-carboxylate?
methyl (3R)-1-(3-ethyl-2-methylquinolin-4-yl)piperidine-3-carboxylate has a molecular weight of 312.41 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-1-(3-ethyl-2-methylquinolin-4-yl)piperidine-3-carboxylate is sourced from PubChem (CID 133438071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).