3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(quinolin-3-ylmethyl)morpholine

C21H19ClN4OS — CID 162822083

IUPAC3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(quinolin-3-ylmethyl)morpholine
SMILESClc1ccc(-c2cnc(C3COCCN3Cc3cnc4ccccc4c3)[nH]2)s1
InChIInChI=1S/C21H19ClN4OS/c22-20-6-5-19(28-20)17-11-24-21(25-17)18-13-27-8-7-26(18)12-14-9-15-3-1-2-4-16(15)23-10-14/h1-6,9-11,18H,7-8,12-13H2,(H,24,25)
InChIKeyVHIGPYUXYSBXAD-UHFFFAOYSA-N
MW410.93 g/mol
LogP4.91
Rot. Bonds4

About 3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(quinolin-3-ylmethyl)morpholine

3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(quinolin-3-ylmethyl)morpholine (PubChem CID 162822083) has the molecular formula C21H19ClN4OS and a molecular weight of 410.93 g/mol. Its IUPAC name is 3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(quinolin-3-ylmethyl)morpholine.

Molecular Properties

Compound Name3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(quinolin-3-ylmethyl)morpholine
PubChem CID162822083
Molecular FormulaC21H19ClN4OS
Molecular Weight410.93 g/mol
Exact Mass410.10
IUPAC Name3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(quinolin-3-ylmethyl)morpholine
SMILESClc1ccc(-c2cnc(C3COCCN3Cc3cnc4ccccc4c3)[nH]2)s1
InChIInChI=1S/C21H19ClN4OS/c22-20-6-5-19(28-20)17-11-24-21(25-17)18-13-27-8-7-26(18)12-14-9-15-3-1-2-4-16(15)23-10-14/h1-6,9-11,18H,7-8,12-13H2,(H,24,25)
InChIKeyVHIGPYUXYSBXAD-UHFFFAOYSA-N
XLogP4.91
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.93
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(quinolin-3-ylmethyl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(cyclopropylmethyl)morpholine
CID 78151125
3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(1H-indol-3-ylmethyl)morpholine
CID 163049612
(3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(2,2-dimethylpropyl)morpholine
CID 75367151
3-(chloromethyl)-4-(quinolin-3-ylmethyl)morpholine
CID 114203594
4-(1-benzothiophen-2-ylmethyl)-3-(5-methyl-1H-imidazol-2-yl)morpholine
CID 110105450
(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(4-methylphenyl)methyl]morpholine
CID 56776036
4-[(4-methylphenyl)methyl]-3-(5-pyridin-4-yl-1H-imidazol-2-yl)morpholine
CID 78151212
3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(4-methylsulfonylphenyl)methyl]morpholine
CID 78151281
3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(2-fluorophenyl)methyl]morpholine
CID 162916385
4-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]-N,N-dimethylaniline
CID 78151248
3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-4-(pyridin-3-ylmethyl)morpholine
CID 78151159
2-[[3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol
CID 78151161

Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(quinolin-3-ylmethyl)morpholine?
The IUPAC name of 3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(quinolin-3-ylmethyl)morpholine (CID 162822083) is 3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(quinolin-3-ylmethyl)morpholine.
What is the SMILES notation for 3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(quinolin-3-ylmethyl)morpholine?
The canonical SMILES for 3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(quinolin-3-ylmethyl)morpholine is Clc1ccc(-c2cnc(C3COCCN3Cc3cnc4ccccc4c3)[nH]2)s1.
What is the InChIKey of 3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(quinolin-3-ylmethyl)morpholine?
The InChIKey is VHIGPYUXYSBXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4OS/c22-20-6-5-19(28-20)17-11-24-21(25-17)18-13-27-8-7-26(18)12-14-9-15-3-1-2-4-16(15)23-10-14/h1-6,9-11,18H,7-8,12-13H2,(H,24,25).
What are the key properties of 3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(quinolin-3-ylmethyl)morpholine?
3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(quinolin-3-ylmethyl)morpholine has a molecular weight of 410.93 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(quinolin-3-ylmethyl)morpholine is sourced from PubChem (CID 162822083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).