ethane;5-hydroxy-2,3-dihydroisoindol-1-one;4-[6-(pyrrolidin-1-ylmethyl)quinolin-2-yl]morpholine

C28H36N4O3 — CID 170708040

IUPACethane;5-hydroxy-2,3-dihydroisoindol-1-one;4-[6-(pyrrolidin-1-ylmethyl)quinolin-2-yl]morpholine
SMILESCC.O=C1NCc2cc(O)ccc21.c1cc2nc(N3CCOCC3)ccc2cc1CN1CCCC1
InChIInChI=1S/C18H23N3O.C8H7NO2.C2H6/c1-2-8-20(7-1)14-15-3-5-17-16(13-15)4-6-18(19-17)21-9-11-22-12-10-21;10-6-1-2-7-5(3-6)4-9-8(7)11;1-2/h3-6,13H,1-2,7-12,14H2;1-3,10H,4H2,(H,9,11);1-2H3
InChIKeyKQMUZIZHKYZLRI-UHFFFAOYSA-N
MW476.62 g/mol
LogP4.33
Rot. Bonds3

About ethane;5-hydroxy-2,3-dihydroisoindol-1-one;4-[6-(pyrrolidin-1-ylmethyl)quinolin-2-yl]morpholine

ethane;5-hydroxy-2,3-dihydroisoindol-1-one;4-[6-(pyrrolidin-1-ylmethyl)quinolin-2-yl]morpholine (PubChem CID 170708040) has the molecular formula C28H36N4O3 and a molecular weight of 476.62 g/mol. Its IUPAC name is ethane;5-hydroxy-2,3-dihydroisoindol-1-one;4-[6-(pyrrolidin-1-ylmethyl)quinolin-2-yl]morpholine.

Molecular Properties

Compound Nameethane;5-hydroxy-2,3-dihydroisoindol-1-one;4-[6-(pyrrolidin-1-ylmethyl)quinolin-2-yl]morpholine
PubChem CID170708040
Molecular FormulaC28H36N4O3
Molecular Weight476.62 g/mol
Exact Mass476.28
IUPAC Nameethane;5-hydroxy-2,3-dihydroisoindol-1-one;4-[6-(pyrrolidin-1-ylmethyl)quinolin-2-yl]morpholine
SMILESCC.O=C1NCc2cc(O)ccc21.c1cc2nc(N3CCOCC3)ccc2cc1CN1CCCC1
InChIInChI=1S/C18H23N3O.C8H7NO2.C2H6/c1-2-8-20(7-1)14-15-3-5-17-16(13-15)4-6-18(19-17)21-9-11-22-12-10-21;10-6-1-2-7-5(3-6)4-9-8(7)11;1-2/h3-6,13H,1-2,7-12,14H2;1-3,10H,4H2,(H,9,11);1-2H3
InChIKeyKQMUZIZHKYZLRI-UHFFFAOYSA-N
XLogP4.33
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.62
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;5-hydroxy-2,3-dihydroisoindol-1-one;4-[6-(pyrrolidin-1-ylmethyl)quinolin-2-yl]morpholine?
The IUPAC name of ethane;5-hydroxy-2,3-dihydroisoindol-1-one;4-[6-(pyrrolidin-1-ylmethyl)quinolin-2-yl]morpholine (CID 170708040) is ethane;5-hydroxy-2,3-dihydroisoindol-1-one;4-[6-(pyrrolidin-1-ylmethyl)quinolin-2-yl]morpholine.
What is the SMILES notation for ethane;5-hydroxy-2,3-dihydroisoindol-1-one;4-[6-(pyrrolidin-1-ylmethyl)quinolin-2-yl]morpholine?
The canonical SMILES for ethane;5-hydroxy-2,3-dihydroisoindol-1-one;4-[6-(pyrrolidin-1-ylmethyl)quinolin-2-yl]morpholine is CC.O=C1NCc2cc(O)ccc21.c1cc2nc(N3CCOCC3)ccc2cc1CN1CCCC1.
What is the InChIKey of ethane;5-hydroxy-2,3-dihydroisoindol-1-one;4-[6-(pyrrolidin-1-ylmethyl)quinolin-2-yl]morpholine?
The InChIKey is KQMUZIZHKYZLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O.C8H7NO2.C2H6/c1-2-8-20(7-1)14-15-3-5-17-16(13-15)4-6-18(19-17)21-9-11-22-12-10-21;10-6-1-2-7-5(3-6)4-9-8(7)11;1-2/h3-6,13H,1-2,7-12,14H2;1-3,10H,4H2,(H,9,11);1-2H3.
What are the key properties of ethane;5-hydroxy-2,3-dihydroisoindol-1-one;4-[6-(pyrrolidin-1-ylmethyl)quinolin-2-yl]morpholine?
ethane;5-hydroxy-2,3-dihydroisoindol-1-one;4-[6-(pyrrolidin-1-ylmethyl)quinolin-2-yl]morpholine has a molecular weight of 476.62 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-hydroxy-2,3-dihydroisoindol-1-one;4-[6-(pyrrolidin-1-ylmethyl)quinolin-2-yl]morpholine is sourced from PubChem (CID 170708040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).