ethyl 7,8-dimethyl-4-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]quinoline-3-carboxylate

C24H33N3O3 — CID 133394116

IUPACethyl 7,8-dimethyl-4-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)c(C)ccc2c1NC1CCN(CC2CCOC2)CC1
InChIInChI=1S/C24H33N3O3/c1-4-30-24(28)21-13-25-22-17(3)16(2)5-6-20(22)23(21)26-19-7-10-27(11-8-19)14-18-9-12-29-15-18/h5-6,13,18-19H,4,7-12,14-15H2,1-3H3,(H,25,26)
InChIKeyBONXCHFBMRUZKH-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.94
Rot. Bonds6

About ethyl 7,8-dimethyl-4-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]quinoline-3-carboxylate

ethyl 7,8-dimethyl-4-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]quinoline-3-carboxylate (PubChem CID 133394116) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is ethyl 7,8-dimethyl-4-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7,8-dimethyl-4-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]quinoline-3-carboxylate
PubChem CID133394116
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Nameethyl 7,8-dimethyl-4-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)c(C)ccc2c1NC1CCN(CC2CCOC2)CC1
InChIInChI=1S/C24H33N3O3/c1-4-30-24(28)21-13-25-22-17(3)16(2)5-6-20(22)23(21)26-19-7-10-27(11-8-19)14-18-9-12-29-15-18/h5-6,13,18-19H,4,7-12,14-15H2,1-3H3,(H,25,26)
InChIKeyBONXCHFBMRUZKH-UHFFFAOYSA-N
XLogP3.94
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 7,8-dimethyl-4-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]quinoline-3-carboxylate with MolForge

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Related Compounds

ethyl 7,8-dimethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate
CID 1088949
ethyl 2-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 124617188
ethyl 4-(4-acetamidoanilino)-7,8-dimethylquinoline-3-carboxylate
CID 2956986
ethyl 4-[2-(hydroxymethyl)morpholin-4-yl]-7,8-dimethylquinoline-3-carboxylate
CID 133368783
5-nitro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyridin-2-amine
CID 133305273
ethyl 7,8-dichloro-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate
CID 1187153
ethyl 2-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]pyridine-3-carboxylate
CID 133469048
N-(6-ethoxy-3-pyridinyl)-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide
CID 126781942
ethyl 4-[[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]amino]-7,8-dimethylquinoline-3-carboxylate
CID 133394515
ethyl 4-(cyclopentylamino)-8-(trifluoromethoxy)quinoline-3-carboxylate
CID 67250210
N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133305299
ethyl 4-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 138624616

Frequently Asked Questions

What is the IUPAC name of ethyl 7,8-dimethyl-4-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]quinoline-3-carboxylate?
The IUPAC name of ethyl 7,8-dimethyl-4-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]quinoline-3-carboxylate (CID 133394116) is ethyl 7,8-dimethyl-4-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 7,8-dimethyl-4-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]quinoline-3-carboxylate?
The canonical SMILES for ethyl 7,8-dimethyl-4-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]quinoline-3-carboxylate is CCOC(=O)c1cnc2c(C)c(C)ccc2c1NC1CCN(CC2CCOC2)CC1.
What is the InChIKey of ethyl 7,8-dimethyl-4-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]quinoline-3-carboxylate?
The InChIKey is BONXCHFBMRUZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-4-30-24(28)21-13-25-22-17(3)16(2)5-6-20(22)23(21)26-19-7-10-27(11-8-19)14-18-9-12-29-15-18/h5-6,13,18-19H,4,7-12,14-15H2,1-3H3,(H,25,26).
What are the key properties of ethyl 7,8-dimethyl-4-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]quinoline-3-carboxylate?
ethyl 7,8-dimethyl-4-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]quinoline-3-carboxylate has a molecular weight of 411.55 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7,8-dimethyl-4-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]quinoline-3-carboxylate is sourced from PubChem (CID 133394116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).