4-[3-(1H-imidazol-2-yl)-7-methylquinolin-2-yl]morpholine

C17H18N4O — CID 56722426

IUPAC4-[3-(1H-imidazol-2-yl)-7-methylquinolin-2-yl]morpholine
SMILESCc1ccc2cc(-c3ncc[nH]3)c(N3CCOCC3)nc2c1
InChIInChI=1S/C17H18N4O/c1-12-2-3-13-11-14(16-18-4-5-19-16)17(20-15(13)10-12)21-6-8-22-9-7-21/h2-5,10-11H,6-9H2,1H3,(H,18,19)
InChIKeyPBSWHTGMDIXXGV-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.77
Rot. Bonds2

About 4-[3-(1H-imidazol-2-yl)-7-methylquinolin-2-yl]morpholine

4-[3-(1H-imidazol-2-yl)-7-methylquinolin-2-yl]morpholine (PubChem CID 56722426) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-[3-(1H-imidazol-2-yl)-7-methylquinolin-2-yl]morpholine.

Molecular Properties

Compound Name4-[3-(1H-imidazol-2-yl)-7-methylquinolin-2-yl]morpholine
PubChem CID56722426
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name4-[3-(1H-imidazol-2-yl)-7-methylquinolin-2-yl]morpholine
SMILESCc1ccc2cc(-c3ncc[nH]3)c(N3CCOCC3)nc2c1
InChIInChI=1S/C17H18N4O/c1-12-2-3-13-11-14(16-18-4-5-19-16)17(20-15(13)10-12)21-6-8-22-9-7-21/h2-5,10-11H,6-9H2,1H3,(H,18,19)
InChIKeyPBSWHTGMDIXXGV-UHFFFAOYSA-N
XLogP2.77
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[(4-ethylpiperazin-1-yl)methyl]-7-methylquinolin-2-yl]morpholine
CID 91761902
(5E)-5-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 1227121
2-(2,5-dimethylphenyl)-1H-imidazole
CID 55253579
4-[3-[5-(1H-imidazol-2-yl)pyridazin-4-yl]phenyl]morpholine
CID 123186348
(3aS,6aR)-5-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one
CID 163309665
7,16-bis(1H-imidazol-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 45278194
4-(6-methylquinazolin-2-yl)morpholine
CID 146428087
2-(1H-imidazol-2-yl)-5-methyl-N-phenylaniline
CID 155100435
4-[4-chloro-6-(1H-imidazol-2-yl)pyrimidin-2-yl]morpholine
CID 87606474
3,7-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline
CID 2851670
1,3-dimethyl-4-(7-methyl-2-morpholin-4-ylquinolin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169422291
(3S,4S)-3-hydroxy-1-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]piperidine-4-carboxylic acid
CID 164690368

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-imidazol-2-yl)-7-methylquinolin-2-yl]morpholine?
The IUPAC name of 4-[3-(1H-imidazol-2-yl)-7-methylquinolin-2-yl]morpholine (CID 56722426) is 4-[3-(1H-imidazol-2-yl)-7-methylquinolin-2-yl]morpholine.
What is the SMILES notation for 4-[3-(1H-imidazol-2-yl)-7-methylquinolin-2-yl]morpholine?
The canonical SMILES for 4-[3-(1H-imidazol-2-yl)-7-methylquinolin-2-yl]morpholine is Cc1ccc2cc(-c3ncc[nH]3)c(N3CCOCC3)nc2c1.
What is the InChIKey of 4-[3-(1H-imidazol-2-yl)-7-methylquinolin-2-yl]morpholine?
The InChIKey is PBSWHTGMDIXXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-12-2-3-13-11-14(16-18-4-5-19-16)17(20-15(13)10-12)21-6-8-22-9-7-21/h2-5,10-11H,6-9H2,1H3,(H,18,19).
What are the key properties of 4-[3-(1H-imidazol-2-yl)-7-methylquinolin-2-yl]morpholine?
4-[3-(1H-imidazol-2-yl)-7-methylquinolin-2-yl]morpholine has a molecular weight of 294.36 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-imidazol-2-yl)-7-methylquinolin-2-yl]morpholine is sourced from PubChem (CID 56722426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).