ethyl N-[1-[2-hydroxy-3-[(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate

C20H29N3O6 — CID 19913744

IUPACethyl N-[1-[2-hydroxy-3-[(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate
SMILESCCOC(=O)NC1CCN(CC(O)COc2ccc(O)c3c2CCC(=O)N3)CC1
InChIInChI=1S/C20H29N3O6/c1-2-28-20(27)21-13-7-9-23(10-8-13)11-14(24)12-29-17-5-4-16(25)19-15(17)3-6-18(26)22-19/h4-5,13-14,24-25H,2-3,6-12H2,1H3,(H,21,27)(H,22,26)
InChIKeyUDXMHHHGKGVHSR-UHFFFAOYSA-N
MW407.47 g/mol
LogP1.23
Rot. Bonds7

About ethyl N-[1-[2-hydroxy-3-[(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate

ethyl N-[1-[2-hydroxy-3-[(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate (PubChem CID 19913744) has the molecular formula C20H29N3O6 and a molecular weight of 407.47 g/mol. Its IUPAC name is ethyl N-[1-[2-hydroxy-3-[(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[2-hydroxy-3-[(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate
PubChem CID19913744
Molecular FormulaC20H29N3O6
Molecular Weight407.47 g/mol
Exact Mass407.21
IUPAC Nameethyl N-[1-[2-hydroxy-3-[(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate
SMILESCCOC(=O)NC1CCN(CC(O)COc2ccc(O)c3c2CCC(=O)N3)CC1
InChIInChI=1S/C20H29N3O6/c1-2-28-20(27)21-13-7-9-23(10-8-13)11-14(24)12-29-17-5-4-16(25)19-15(17)3-6-18(26)22-19/h4-5,13-14,24-25H,2-3,6-12H2,1H3,(H,21,27)(H,22,26)
InChIKeyUDXMHHHGKGVHSR-UHFFFAOYSA-N
XLogP1.23
TPSA120.36 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze ethyl N-[1-[2-hydroxy-3-[(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate with MolForge

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Related Compounds

methyl N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate
CID 15677015
(2-hydroxy-2-methylpropyl) N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate;hydrochloride
CID 19913805
[1-[4-(2-methylpropoxycarbonylamino)piperidin-1-yl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propan-2-yl] acetate
CID 15677066
4-[4-[2-[[(2S)-2-hydroxy-3-[(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]amino]ethyl]anilino]-N-octylpiperidine-1-carboxamide
CID 10232593
5-[3-[ethyl(phenoxy)amino]-2-hydroxypropoxy]-8-hydroxy-3,4-dihydro-1H-quinolin-2-one
CID 54396009
5-[[4-[4-[[(2S)-2-hydroxy-3-[(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]amino]piperidin-1-yl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 86584555
5-[3-(cyclohexylamino)-2-hydroxypropoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 20570418
5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-8-(2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 20570364
5-[3-[1-(3,4-dimethoxyphenoxy)propan-2-ylamino]-2-hydroxypropoxy]-8-hydroxy-3,4-dihydro-1H-quinolin-2-one
CID 20561362
cyclopropylmethyl N-[1-[2-[(8-methoxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]ethyl]piperidin-4-yl]carbamate
CID 15677010
ethyl N-[5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-2-oxo-3,4-dihydro-1H-quinolin-8-yl]carbamate;hydrochloride
CID 21326405
(2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 769296

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[2-hydroxy-3-[(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate?
The IUPAC name of ethyl N-[1-[2-hydroxy-3-[(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate (CID 19913744) is ethyl N-[1-[2-hydroxy-3-[(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[2-hydroxy-3-[(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate?
The canonical SMILES for ethyl N-[1-[2-hydroxy-3-[(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate is CCOC(=O)NC1CCN(CC(O)COc2ccc(O)c3c2CCC(=O)N3)CC1.
What is the InChIKey of ethyl N-[1-[2-hydroxy-3-[(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate?
The InChIKey is UDXMHHHGKGVHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O6/c1-2-28-20(27)21-13-7-9-23(10-8-13)11-14(24)12-29-17-5-4-16(25)19-15(17)3-6-18(26)22-19/h4-5,13-14,24-25H,2-3,6-12H2,1H3,(H,21,27)(H,22,26).
What are the key properties of ethyl N-[1-[2-hydroxy-3-[(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate?
ethyl N-[1-[2-hydroxy-3-[(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate has a molecular weight of 407.47 g/mol, XLogP of 1.23, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[2-hydroxy-3-[(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 19913744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).