ethyl 4-[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]quinoline-3-carboxylate

C24H26N4O3 — CID 133277758

IUPACethyl 4-[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1N1CCCC(C(=O)Nc2ccc(C)cn2)C1
InChIInChI=1S/C24H26N4O3/c1-3-31-24(30)19-14-25-20-9-5-4-8-18(20)22(19)28-12-6-7-17(15-28)23(29)27-21-11-10-16(2)13-26-21/h4-5,8-11,13-14,17H,3,6-7,12,15H2,1-2H3,(H,26,27,29)
InChIKeyAAKFQDGSOAJQRI-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.97
Rot. Bonds5

About ethyl 4-[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]quinoline-3-carboxylate

ethyl 4-[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]quinoline-3-carboxylate (PubChem CID 133277758) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is ethyl 4-[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]quinoline-3-carboxylate
PubChem CID133277758
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Nameethyl 4-[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1N1CCCC(C(=O)Nc2ccc(C)cn2)C1
InChIInChI=1S/C24H26N4O3/c1-3-31-24(30)19-14-25-20-9-5-4-8-18(20)22(19)28-12-6-7-17(15-28)23(29)27-21-11-10-16(2)13-26-21/h4-5,8-11,13-14,17H,3,6-7,12,15H2,1-2H3,(H,26,27,29)
InChIKeyAAKFQDGSOAJQRI-UHFFFAOYSA-N
XLogP3.97
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[4-(phenylcarbamoyl)piperidin-1-yl]quinoline-3-carboxylate
CID 49428479
ethyl 4-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]piperidin-1-yl]quinoline-3-carboxylate
CID 133305532
1-(3-ethoxycarbonylquinolin-4-yl)piperidine-4-carboxylic acid
CID 122047501
N-(5-bromo-2-pyridinyl)-1-(3-cyanoquinolin-4-yl)piperidine-3-carboxamide
CID 133319063
ethyl 4-[(3aR,5S,6S,7aS)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]quinoline-3-carboxylate
CID 56861128
ethyl 4-thiomorpholin-4-ylquinoline-3-carboxylate
CID 52805665
ethyl 4-piperazin-1-ylquinoline-3-carboxylate
CID 13295826
ethyl 1-[3-(4-methylphenyl)sulfonylquinolin-4-yl]piperidine-3-carboxylate
CID 20882593
ethyl 4-[2-(furan-2-yl)morpholin-4-yl]quinoline-3-carboxylate
CID 133347314
4-(3-ethylpiperidin-1-yl)quinoline-3-carboxylic acid
CID 61340983
N-(5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)quinoline-3-carbonyl]piperidine-4-carboxamide
CID 78891005
ethyl 6-ethoxy-4-(3-methylpiperidin-1-yl)quinoline-3-carboxylate
CID 4157109

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]quinoline-3-carboxylate?
The IUPAC name of ethyl 4-[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]quinoline-3-carboxylate (CID 133277758) is ethyl 4-[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]quinoline-3-carboxylate is CCOC(=O)c1cnc2ccccc2c1N1CCCC(C(=O)Nc2ccc(C)cn2)C1.
What is the InChIKey of ethyl 4-[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]quinoline-3-carboxylate?
The InChIKey is AAKFQDGSOAJQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-3-31-24(30)19-14-25-20-9-5-4-8-18(20)22(19)28-12-6-7-17(15-28)23(29)27-21-11-10-16(2)13-26-21/h4-5,8-11,13-14,17H,3,6-7,12,15H2,1-2H3,(H,26,27,29).
What are the key properties of ethyl 4-[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]quinoline-3-carboxylate?
ethyl 4-[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]quinoline-3-carboxylate has a molecular weight of 418.50 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]quinoline-3-carboxylate is sourced from PubChem (CID 133277758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).