3-(azepan-1-yl)-1-(8-methoxyquinolin-5-yl)propan-1-one

C19H24N2O2 — CID 93193167

IUPAC3-(azepan-1-yl)-1-(8-methoxyquinolin-5-yl)propan-1-one
SMILESCOc1ccc(C(=O)CCN2CCCCCC2)c2cccnc12
InChIInChI=1S/C19H24N2O2/c1-23-18-9-8-15(16-7-6-11-20-19(16)18)17(22)10-14-21-12-4-2-3-5-13-21/h6-9,11H,2-5,10,12-14H2,1H3
InChIKeyNYPLZFLDDZIORO-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.69
Rot. Bonds5

About 3-(azepan-1-yl)-1-(8-methoxyquinolin-5-yl)propan-1-one

3-(azepan-1-yl)-1-(8-methoxyquinolin-5-yl)propan-1-one (PubChem CID 93193167) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-(azepan-1-yl)-1-(8-methoxyquinolin-5-yl)propan-1-one.

Molecular Properties

Compound Name3-(azepan-1-yl)-1-(8-methoxyquinolin-5-yl)propan-1-one
PubChem CID93193167
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name3-(azepan-1-yl)-1-(8-methoxyquinolin-5-yl)propan-1-one
SMILESCOc1ccc(C(=O)CCN2CCCCCC2)c2cccnc12
InChIInChI=1S/C19H24N2O2/c1-23-18-9-8-15(16-7-6-11-20-19(16)18)17(22)10-14-21-12-4-2-3-5-13-21/h6-9,11H,2-5,10,12-14H2,1H3
InChIKeyNYPLZFLDDZIORO-UHFFFAOYSA-N
XLogP3.69
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(8-methoxyquinolin-5-yl)-2-morpholin-4-ylethanone
CID 93193171
8-methoxy-5-(piperidin-1-ylmethyl)quinoline
CID 135293876
1-(2-methoxynaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050990
8-methoxy-5-piperidin-1-ylquinoline
CID 86218648
1-(4-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050959
(E)-4-(8-methoxyquinolin-5-yl)-4-oxobut-2-enoic acid
CID 93193155
4-(8-methoxyquinolin-5-yl)-2-piperidin-1-ylbenzamide
CID 69175133
1-(2-ethoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 58514237
methyl 3-(8-methoxyquinolin-5-yl)-2-methyl-3-oxopropanoate
CID 59335917
1-(3-amino-4-methoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 82064923
1-(4-ethoxynaphthalen-1-yl)-3-piperazin-1-ylpropan-1-one
CID 82263185
1-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 94274694

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-yl)-1-(8-methoxyquinolin-5-yl)propan-1-one?
The IUPAC name of 3-(azepan-1-yl)-1-(8-methoxyquinolin-5-yl)propan-1-one (CID 93193167) is 3-(azepan-1-yl)-1-(8-methoxyquinolin-5-yl)propan-1-one.
What is the SMILES notation for 3-(azepan-1-yl)-1-(8-methoxyquinolin-5-yl)propan-1-one?
The canonical SMILES for 3-(azepan-1-yl)-1-(8-methoxyquinolin-5-yl)propan-1-one is COc1ccc(C(=O)CCN2CCCCCC2)c2cccnc12.
What is the InChIKey of 3-(azepan-1-yl)-1-(8-methoxyquinolin-5-yl)propan-1-one?
The InChIKey is NYPLZFLDDZIORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-23-18-9-8-15(16-7-6-11-20-19(16)18)17(22)10-14-21-12-4-2-3-5-13-21/h6-9,11H,2-5,10,12-14H2,1H3.
What are the key properties of 3-(azepan-1-yl)-1-(8-methoxyquinolin-5-yl)propan-1-one?
3-(azepan-1-yl)-1-(8-methoxyquinolin-5-yl)propan-1-one has a molecular weight of 312.41 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-yl)-1-(8-methoxyquinolin-5-yl)propan-1-one is sourced from PubChem (CID 93193167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).