4-[2-[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)imidazol-1-yl]butyl]morpholine;hydrochloride

C21H31ClN4O — CID 118741788

IUPAC4-[2-[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)imidazol-1-yl]butyl]morpholine;hydrochloride
SMILESCCC(CN1CCOCC1)n1cncc1-c1ccc2c(c1)CCCN2C.Cl
InChIInChI=1S/C21H30N4O.ClH/c1-3-19(15-24-9-11-26-12-10-24)25-16-22-14-21(25)18-6-7-20-17(13-18)5-4-8-23(20)2;/h6-7,13-14,16,19H,3-5,8-12,15H2,1-2H3;1H
InChIKeyPHVRCBDTOMNLLM-UHFFFAOYSA-N
MW390.96 g/mol
LogP3.64
Rot. Bonds5

About 4-[2-[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)imidazol-1-yl]butyl]morpholine;hydrochloride

4-[2-[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)imidazol-1-yl]butyl]morpholine;hydrochloride (PubChem CID 118741788) has the molecular formula C21H31ClN4O and a molecular weight of 390.96 g/mol. Its IUPAC name is 4-[2-[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)imidazol-1-yl]butyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[2-[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)imidazol-1-yl]butyl]morpholine;hydrochloride
PubChem CID118741788
Molecular FormulaC21H31ClN4O
Molecular Weight390.96 g/mol
Exact Mass390.22
IUPAC Name4-[2-[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)imidazol-1-yl]butyl]morpholine;hydrochloride
SMILESCCC(CN1CCOCC1)n1cncc1-c1ccc2c(c1)CCCN2C.Cl
InChIInChI=1S/C21H30N4O.ClH/c1-3-19(15-24-9-11-26-12-10-24)25-16-22-14-21(25)18-6-7-20-17(13-18)5-4-8-23(20)2;/h6-7,13-14,16,19H,3-5,8-12,15H2,1-2H3;1H
InChIKeyPHVRCBDTOMNLLM-UHFFFAOYSA-N
XLogP3.64
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.96
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)imidazol-1-yl]butyl]morpholine;hydrochloride?
The IUPAC name of 4-[2-[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)imidazol-1-yl]butyl]morpholine;hydrochloride (CID 118741788) is 4-[2-[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)imidazol-1-yl]butyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[2-[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)imidazol-1-yl]butyl]morpholine;hydrochloride?
The canonical SMILES for 4-[2-[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)imidazol-1-yl]butyl]morpholine;hydrochloride is CCC(CN1CCOCC1)n1cncc1-c1ccc2c(c1)CCCN2C.Cl.
What is the InChIKey of 4-[2-[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)imidazol-1-yl]butyl]morpholine;hydrochloride?
The InChIKey is PHVRCBDTOMNLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O.ClH/c1-3-19(15-24-9-11-26-12-10-24)25-16-22-14-21(25)18-6-7-20-17(13-18)5-4-8-23(20)2;/h6-7,13-14,16,19H,3-5,8-12,15H2,1-2H3;1H.
What are the key properties of 4-[2-[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)imidazol-1-yl]butyl]morpholine;hydrochloride?
4-[2-[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)imidazol-1-yl]butyl]morpholine;hydrochloride has a molecular weight of 390.96 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)imidazol-1-yl]butyl]morpholine;hydrochloride is sourced from PubChem (CID 118741788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).