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

C17H23N3O — CID 2850184

IUPAC7-methoxy-4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinoline
SMILESCOc1ccc2c(C)cc(N3CCCN(C)CC3)nc2c1
InChIInChI=1S/C17H23N3O/c1-13-11-17(20-8-4-7-19(2)9-10-20)18-16-12-14(21-3)5-6-15(13)16/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyHUQNEFYWZNSUAL-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.69
Rot. Bonds2

About 7-methoxy-4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinoline

7-methoxy-4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinoline (PubChem CID 2850184) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 7-methoxy-4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinoline.

Molecular Properties

Compound Name7-methoxy-4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinoline
PubChem CID2850184
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name7-methoxy-4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinoline
SMILESCOc1ccc2c(C)cc(N3CCCN(C)CC3)nc2c1
InChIInChI=1S/C17H23N3O/c1-13-11-17(20-8-4-7-19(2)9-10-20)18-16-12-14(21-3)5-6-15(13)16/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyHUQNEFYWZNSUAL-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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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinoline?
The IUPAC name of 7-methoxy-4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinoline (CID 2850184) is 7-methoxy-4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinoline.
What is the SMILES notation for 7-methoxy-4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinoline?
The canonical SMILES for 7-methoxy-4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinoline is COc1ccc2c(C)cc(N3CCCN(C)CC3)nc2c1.
What is the InChIKey of 7-methoxy-4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinoline?
The InChIKey is HUQNEFYWZNSUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13-11-17(20-8-4-7-19(2)9-10-20)18-16-12-14(21-3)5-6-15(13)16/h5-6,11-12H,4,7-10H2,1-3H3.
What are the key properties of 7-methoxy-4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinoline?
7-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 7-methoxy-4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinoline is sourced from PubChem (CID 2850184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).