8-methoxy-4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinoline

C17H23N3O — CID 6456448

IUPAC8-methoxy-4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinoline
SMILESCOc1cccc2c(C)cc(N3CCCN(C)CC3)nc12
InChIInChI=1S/C17H23N3O/c1-13-12-16(20-9-5-8-19(2)10-11-20)18-17-14(13)6-4-7-15(17)21-3/h4,6-7,12H,5,8-11H2,1-3H3
InChIKeyPEVWMKZIBKGNOF-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.69
Rot. Bonds2

About 8-methoxy-4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinoline

8-methoxy-4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinoline (PubChem CID 6456448) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 8-methoxy-4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinoline.

Molecular Properties

Compound Name8-methoxy-4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinoline
PubChem CID6456448
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name8-methoxy-4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinoline
SMILESCOc1cccc2c(C)cc(N3CCCN(C)CC3)nc12
InChIInChI=1S/C17H23N3O/c1-13-12-16(20-9-5-8-19(2)10-11-20)18-17-14(13)6-4-7-15(17)21-3/h4,6-7,12H,5,8-11H2,1-3H3
InChIKeyPEVWMKZIBKGNOF-UHFFFAOYSA-N
XLogP2.69
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-fluorophenyl)piperazin-1-yl]-8-methoxy-4-methylquinoline
CID 1365048
8-methoxy-4-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline
CID 23931520
N-cyclohexyl-4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbothioamide
CID 108783044
8-methoxy-4-methyl-2-piperazin-1-ylquinoline;oxalic acid
CID 75464988
(2S,6S)-4-(8-methoxy-4-methylquinolin-2-yl)-2,6-dimethylmorpholine
CID 27271146
(2R,6R)-4-(8-methoxy-4-methylquinolin-2-yl)-2,6-dimethylmorpholine
CID 27271148
3-bromo-1-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]propan-1-one
CID 108741927
(4-chlorophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108764370
(2-iodophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108764373
4-(2,6-dimethylphenoxy)-1-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]butan-1-one
CID 108764444
3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 108741817
(E)-3-(4-fluorophenyl)-1-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]prop-2-en-1-one
CID 108764414

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinoline?
The IUPAC name of 8-methoxy-4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinoline (CID 6456448) is 8-methoxy-4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinoline.
What is the SMILES notation for 8-methoxy-4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinoline?
The canonical SMILES for 8-methoxy-4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinoline is COc1cccc2c(C)cc(N3CCCN(C)CC3)nc12.
What is the InChIKey of 8-methoxy-4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinoline?
The InChIKey is PEVWMKZIBKGNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13-12-16(20-9-5-8-19(2)10-11-20)18-17-14(13)6-4-7-15(17)21-3/h4,6-7,12H,5,8-11H2,1-3H3.
What are the key properties of 8-methoxy-4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinoline?
8-methoxy-4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinoline has a molecular weight of 285.39 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinoline is sourced from PubChem (CID 6456448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).