[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl] N-[2-(oxan-4-yl)ethyl]carbamate

C25H35N3O4 — CID 67318258

IUPAC[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl] N-[2-(oxan-4-yl)ethyl]carbamate
SMILESCC(C)N1CCC(Oc2ccc3nc(OC(=O)NCCC4CCOCC4)ccc3c2)CC1
InChIInChI=1S/C25H35N3O4/c1-18(2)28-13-8-21(9-14-28)31-22-4-5-23-20(17-22)3-6-24(27-23)32-25(29)26-12-7-19-10-15-30-16-11-19/h3-6,17-19,21H,7-16H2,1-2H3,(H,26,29)
InChIKeyVCIPUQAHZDOQFO-UHFFFAOYSA-N
MW441.57 g/mol
LogP4.39
Rot. Bonds7

About [6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl] N-[2-(oxan-4-yl)ethyl]carbamate

[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl] N-[2-(oxan-4-yl)ethyl]carbamate (PubChem CID 67318258) has the molecular formula C25H35N3O4 and a molecular weight of 441.57 g/mol. Its IUPAC name is [6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl] N-[2-(oxan-4-yl)ethyl]carbamate.

Molecular Properties

Compound Name[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl] N-[2-(oxan-4-yl)ethyl]carbamate
PubChem CID67318258
Molecular FormulaC25H35N3O4
Molecular Weight441.57 g/mol
Exact Mass441.26
IUPAC Name[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl] N-[2-(oxan-4-yl)ethyl]carbamate
SMILESCC(C)N1CCC(Oc2ccc3nc(OC(=O)NCCC4CCOCC4)ccc3c2)CC1
InChIInChI=1S/C25H35N3O4/c1-18(2)28-13-8-21(9-14-28)31-22-4-5-23-20(17-22)3-6-24(27-23)32-25(29)26-12-7-19-10-15-30-16-11-19/h3-6,17-19,21H,7-16H2,1-2H3,(H,26,29)
InChIKeyVCIPUQAHZDOQFO-UHFFFAOYSA-N
XLogP4.39
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.57
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(Piperidin-4-ylmethoxy)-9-propyl-1,2,3,4-tetrahydro-benzo[h][1,6]naphthyridine
CID 9881053
(3R,4S)-3-Hydroxycarbamoyl-4-[4-(2-methyl-quinolin-4-ylmethoxy)-phenylcarbamoyl]-piperidine-1-carboxylic acid isopropyl ester
CID 22956934
N-benzyl-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide
CID 70682976
9-Butyl-5-(piperidin-4-ylmethoxy)-1,2,3,4-tetrahydro-benzo[h][1,6]naphthyridine
CID 9819953
9-Methyl-5-(piperidin-4-ylmethoxy)-1,2,3,4-tetrahydro-benzo[h][1,6]naphthyridine
CID 9857899
9-Ethyl-5-(piperidin-4-ylmethoxy)-1,2,3,4-tetrahydro-benzo[h][1,6]naphthyridine
CID 9858485
9-Pentyl-5-(piperidin-4-ylmethoxy)-1,2,3,4-tetrahydro-benzo[h][1,6]naphthyridine
CID 10270343
6-methoxy-N-(1-methylpiperidin-4-yl)-2-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
CID 118607435
4-[3-[(3R,4R)-3-ethyl-1-heptylpiperidin-4-yl]propyl]-6-(piperidin-3-ylmethoxy)quinoline;hydrochloride
CID 44533996
4-[3-[(3R,4R)-3-ethyl-1-heptylpiperidin-4-yl]propyl]-6-(2-piperidin-4-ylethoxy)quinoline;hydrochloride
CID 44534002
2-Methoxy-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine
CID 71462780
2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-pentylacetamide
CID 145976635

Frequently Asked Questions

What is the IUPAC name of [6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl] N-[2-(oxan-4-yl)ethyl]carbamate?
The IUPAC name of [6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl] N-[2-(oxan-4-yl)ethyl]carbamate (CID 67318258) is [6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl] N-[2-(oxan-4-yl)ethyl]carbamate.
What is the SMILES notation for [6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl] N-[2-(oxan-4-yl)ethyl]carbamate?
The canonical SMILES for [6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl] N-[2-(oxan-4-yl)ethyl]carbamate is CC(C)N1CCC(Oc2ccc3nc(OC(=O)NCCC4CCOCC4)ccc3c2)CC1.
What is the InChIKey of [6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl] N-[2-(oxan-4-yl)ethyl]carbamate?
The InChIKey is VCIPUQAHZDOQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O4/c1-18(2)28-13-8-21(9-14-28)31-22-4-5-23-20(17-22)3-6-24(27-23)32-25(29)26-12-7-19-10-15-30-16-11-19/h3-6,17-19,21H,7-16H2,1-2H3,(H,26,29).
What are the key properties of [6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl] N-[2-(oxan-4-yl)ethyl]carbamate?
[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl] N-[2-(oxan-4-yl)ethyl]carbamate has a molecular weight of 441.57 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl] N-[2-(oxan-4-yl)ethyl]carbamate is sourced from PubChem (CID 67318258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).