4-[2-[4-[(2-methylpyrrolo[3,4-c]quinolin-4-yl)oxymethyl]piperidin-1-yl]ethyl]morpholine;hydrochloride

C24H33ClN4O2 — CID 67211641

IUPAC4-[2-[4-[(2-methylpyrrolo[3,4-c]quinolin-4-yl)oxymethyl]piperidin-1-yl]ethyl]morpholine;hydrochloride
SMILESCl.Cn1cc2c(OCC3CCN(CCN4CCOCC4)CC3)nc3ccccc3c2c1
InChIInChI=1S/C24H32N4O2.ClH/c1-26-16-21-20-4-2-3-5-23(20)25-24(22(21)17-26)30-18-19-6-8-27(9-7-19)10-11-28-12-14-29-15-13-28;/h2-5,16-17,19H,6-15,18H2,1H3;1H
InChIKeyITWQLJSVTWOWID-UHFFFAOYSA-N
MW445.01 g/mol
LogP3.57
Rot. Bonds6

About 4-[2-[4-[(2-methylpyrrolo[3,4-c]quinolin-4-yl)oxymethyl]piperidin-1-yl]ethyl]morpholine;hydrochloride

4-[2-[4-[(2-methylpyrrolo[3,4-c]quinolin-4-yl)oxymethyl]piperidin-1-yl]ethyl]morpholine;hydrochloride (PubChem CID 67211641) has the molecular formula C24H33ClN4O2 and a molecular weight of 445.01 g/mol. Its IUPAC name is 4-[2-[4-[(2-methylpyrrolo[3,4-c]quinolin-4-yl)oxymethyl]piperidin-1-yl]ethyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[2-[4-[(2-methylpyrrolo[3,4-c]quinolin-4-yl)oxymethyl]piperidin-1-yl]ethyl]morpholine;hydrochloride
PubChem CID67211641
Molecular FormulaC24H33ClN4O2
Molecular Weight445.01 g/mol
Exact Mass444.23
IUPAC Name4-[2-[4-[(2-methylpyrrolo[3,4-c]quinolin-4-yl)oxymethyl]piperidin-1-yl]ethyl]morpholine;hydrochloride
SMILESCl.Cn1cc2c(OCC3CCN(CCN4CCOCC4)CC3)nc3ccccc3c2c1
InChIInChI=1S/C24H32N4O2.ClH/c1-26-16-21-20-4-2-3-5-23(20)25-24(22(21)17-26)30-18-19-6-8-27(9-7-19)10-11-28-12-14-29-15-13-28;/h2-5,16-17,19H,6-15,18H2,1H3;1H
InChIKeyITWQLJSVTWOWID-UHFFFAOYSA-N
XLogP3.57
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.01
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[(2-methylpyrrolo[3,4-c]quinolin-4-yl)oxymethyl]piperidin-1-yl]ethyl]morpholine;hydrochloride?
The IUPAC name of 4-[2-[4-[(2-methylpyrrolo[3,4-c]quinolin-4-yl)oxymethyl]piperidin-1-yl]ethyl]morpholine;hydrochloride (CID 67211641) is 4-[2-[4-[(2-methylpyrrolo[3,4-c]quinolin-4-yl)oxymethyl]piperidin-1-yl]ethyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[2-[4-[(2-methylpyrrolo[3,4-c]quinolin-4-yl)oxymethyl]piperidin-1-yl]ethyl]morpholine;hydrochloride?
The canonical SMILES for 4-[2-[4-[(2-methylpyrrolo[3,4-c]quinolin-4-yl)oxymethyl]piperidin-1-yl]ethyl]morpholine;hydrochloride is Cl.Cn1cc2c(OCC3CCN(CCN4CCOCC4)CC3)nc3ccccc3c2c1.
What is the InChIKey of 4-[2-[4-[(2-methylpyrrolo[3,4-c]quinolin-4-yl)oxymethyl]piperidin-1-yl]ethyl]morpholine;hydrochloride?
The InChIKey is ITWQLJSVTWOWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2.ClH/c1-26-16-21-20-4-2-3-5-23(20)25-24(22(21)17-26)30-18-19-6-8-27(9-7-19)10-11-28-12-14-29-15-13-28;/h2-5,16-17,19H,6-15,18H2,1H3;1H.
What are the key properties of 4-[2-[4-[(2-methylpyrrolo[3,4-c]quinolin-4-yl)oxymethyl]piperidin-1-yl]ethyl]morpholine;hydrochloride?
4-[2-[4-[(2-methylpyrrolo[3,4-c]quinolin-4-yl)oxymethyl]piperidin-1-yl]ethyl]morpholine;hydrochloride has a molecular weight of 445.01 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[(2-methylpyrrolo[3,4-c]quinolin-4-yl)oxymethyl]piperidin-1-yl]ethyl]morpholine;hydrochloride is sourced from PubChem (CID 67211641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).