ethyl 6-[(1-methylpiperidin-4-yl)methylamino]quinoline-3-carboxylate

C19H25N3O2 — CID 150591604

IUPACethyl 6-[(1-methylpiperidin-4-yl)methylamino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(NCC3CCN(C)CC3)cc2c1
InChIInChI=1S/C19H25N3O2/c1-3-24-19(23)16-10-15-11-17(4-5-18(15)21-13-16)20-12-14-6-8-22(2)9-7-14/h4-5,10-11,13-14,20H,3,6-9,12H2,1-2H3
InChIKeyIPZJYFFQSFMWLG-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.17
Rot. Bonds5

About ethyl 6-[(1-methylpiperidin-4-yl)methylamino]quinoline-3-carboxylate

ethyl 6-[(1-methylpiperidin-4-yl)methylamino]quinoline-3-carboxylate (PubChem CID 150591604) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is ethyl 6-[(1-methylpiperidin-4-yl)methylamino]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(1-methylpiperidin-4-yl)methylamino]quinoline-3-carboxylate
PubChem CID150591604
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Nameethyl 6-[(1-methylpiperidin-4-yl)methylamino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(NCC3CCN(C)CC3)cc2c1
InChIInChI=1S/C19H25N3O2/c1-3-24-19(23)16-10-15-11-17(4-5-18(15)21-13-16)20-12-14-6-8-22(2)9-7-14/h4-5,10-11,13-14,20H,3,6-9,12H2,1-2H3
InChIKeyIPZJYFFQSFMWLG-UHFFFAOYSA-N
XLogP3.17
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-bromo-4-[(1-methylpiperidin-4-yl)methylamino]benzoate
CID 62656162
ethyl 6-(4-carbamoylpiperidin-1-yl)quinoline-3-carboxylate
CID 150911210
ethyl 4-(cyclopropylmethylamino)benzoate
CID 43654962
methyl 4-[(1-methylpiperidin-4-yl)methylamino]benzoate
CID 62654527
ethyl 6-(dimethylamino)quinoline-3-carboxylate
CID 150996261
ethyl 3-(cyclopentylmethylamino)benzoate
CID 62070865
ethyl 3-cyclopropylquinoline-6-carboxylate
CID 139487727
ethyl 4-[(1-methylpiperidin-4-yl)amino]benzoate
CID 43321731
propan-2-yl 4-[(1-methylpiperidin-4-yl)methylamino]benzoate
CID 62655829
ethyl 6-[(4-ethylcyclohexyl)methylamino]pyridine-3-carboxylate
CID 63541483
ethyl 3-(1-methylpiperidin-4-yl)benzoate
CID 116988913
tert-butyl N-[5-[(1-methylpiperidin-4-yl)methylamino]-2-pyridinyl]carbamate
CID 107243097

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(1-methylpiperidin-4-yl)methylamino]quinoline-3-carboxylate?
The IUPAC name of ethyl 6-[(1-methylpiperidin-4-yl)methylamino]quinoline-3-carboxylate (CID 150591604) is ethyl 6-[(1-methylpiperidin-4-yl)methylamino]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-[(1-methylpiperidin-4-yl)methylamino]quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-[(1-methylpiperidin-4-yl)methylamino]quinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(NCC3CCN(C)CC3)cc2c1.
What is the InChIKey of ethyl 6-[(1-methylpiperidin-4-yl)methylamino]quinoline-3-carboxylate?
The InChIKey is IPZJYFFQSFMWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-3-24-19(23)16-10-15-11-17(4-5-18(15)21-13-16)20-12-14-6-8-22(2)9-7-14/h4-5,10-11,13-14,20H,3,6-9,12H2,1-2H3.
What are the key properties of ethyl 6-[(1-methylpiperidin-4-yl)methylamino]quinoline-3-carboxylate?
ethyl 6-[(1-methylpiperidin-4-yl)methylamino]quinoline-3-carboxylate has a molecular weight of 327.43 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(1-methylpiperidin-4-yl)methylamino]quinoline-3-carboxylate is sourced from PubChem (CID 150591604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).