4-[4-methyl-6-[(4-methyl-2-morpholin-4-ylquinolin-6-yl)methyl]quinolin-2-yl]morpholine;hydrochloride

C29H33ClN4O2 — CID 54603831

IUPAC4-[4-methyl-6-[(4-methyl-2-morpholin-4-ylquinolin-6-yl)methyl]quinolin-2-yl]morpholine;hydrochloride
SMILESCc1cc(N2CCOCC2)nc2ccc(Cc3ccc4nc(N5CCOCC5)cc(C)c4c3)cc12.Cl
InChIInChI=1S/C29H32N4O2.ClH/c1-20-15-28(32-7-11-34-12-8-32)30-26-5-3-22(18-24(20)26)17-23-4-6-27-25(19-23)21(2)16-29(31-27)33-9-13-35-14-10-33;/h3-6,15-16,18-19H,7-14,17H2,1-2H3;1H
InChIKeyDSTHWDYPNZDVPU-UHFFFAOYSA-N
MW505.06 g/mol
LogP5.09
Rot. Bonds4

About 4-[4-methyl-6-[(4-methyl-2-morpholin-4-ylquinolin-6-yl)methyl]quinolin-2-yl]morpholine;hydrochloride

4-[4-methyl-6-[(4-methyl-2-morpholin-4-ylquinolin-6-yl)methyl]quinolin-2-yl]morpholine;hydrochloride (PubChem CID 54603831) has the molecular formula C29H33ClN4O2 and a molecular weight of 505.06 g/mol. Its IUPAC name is 4-[4-methyl-6-[(4-methyl-2-morpholin-4-ylquinolin-6-yl)methyl]quinolin-2-yl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[4-methyl-6-[(4-methyl-2-morpholin-4-ylquinolin-6-yl)methyl]quinolin-2-yl]morpholine;hydrochloride
PubChem CID54603831
Molecular FormulaC29H33ClN4O2
Molecular Weight505.06 g/mol
Exact Mass504.23
IUPAC Name4-[4-methyl-6-[(4-methyl-2-morpholin-4-ylquinolin-6-yl)methyl]quinolin-2-yl]morpholine;hydrochloride
SMILESCc1cc(N2CCOCC2)nc2ccc(Cc3ccc4nc(N5CCOCC5)cc(C)c4c3)cc12.Cl
InChIInChI=1S/C29H32N4O2.ClH/c1-20-15-28(32-7-11-34-12-8-32)30-26-5-3-22(18-24(20)26)17-23-4-6-27-25(19-23)21(2)16-29(31-27)33-9-13-35-14-10-33;/h3-6,15-16,18-19H,7-14,17H2,1-2H3;1H
InChIKeyDSTHWDYPNZDVPU-UHFFFAOYSA-N
XLogP5.09
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.06
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-6-[(4-methyl-2-morpholin-4-ylquinolin-6-yl)methyl]quinolin-2-yl]morpholine;hydrochloride?
The IUPAC name of 4-[4-methyl-6-[(4-methyl-2-morpholin-4-ylquinolin-6-yl)methyl]quinolin-2-yl]morpholine;hydrochloride (CID 54603831) is 4-[4-methyl-6-[(4-methyl-2-morpholin-4-ylquinolin-6-yl)methyl]quinolin-2-yl]morpholine;hydrochloride.
What is the SMILES notation for 4-[4-methyl-6-[(4-methyl-2-morpholin-4-ylquinolin-6-yl)methyl]quinolin-2-yl]morpholine;hydrochloride?
The canonical SMILES for 4-[4-methyl-6-[(4-methyl-2-morpholin-4-ylquinolin-6-yl)methyl]quinolin-2-yl]morpholine;hydrochloride is Cc1cc(N2CCOCC2)nc2ccc(Cc3ccc4nc(N5CCOCC5)cc(C)c4c3)cc12.Cl.
What is the InChIKey of 4-[4-methyl-6-[(4-methyl-2-morpholin-4-ylquinolin-6-yl)methyl]quinolin-2-yl]morpholine;hydrochloride?
The InChIKey is DSTHWDYPNZDVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2.ClH/c1-20-15-28(32-7-11-34-12-8-32)30-26-5-3-22(18-24(20)26)17-23-4-6-27-25(19-23)21(2)16-29(31-27)33-9-13-35-14-10-33;/h3-6,15-16,18-19H,7-14,17H2,1-2H3;1H.
What are the key properties of 4-[4-methyl-6-[(4-methyl-2-morpholin-4-ylquinolin-6-yl)methyl]quinolin-2-yl]morpholine;hydrochloride?
4-[4-methyl-6-[(4-methyl-2-morpholin-4-ylquinolin-6-yl)methyl]quinolin-2-yl]morpholine;hydrochloride has a molecular weight of 505.06 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-6-[(4-methyl-2-morpholin-4-ylquinolin-6-yl)methyl]quinolin-2-yl]morpholine;hydrochloride is sourced from PubChem (CID 54603831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).