[4-(azepan-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone

C23H24N2O2 — CID 20882559

IUPAC[4-(azepan-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cnc3ccccc3c2N2CCCCCC2)cc1
InChIInChI=1S/C23H24N2O2/c1-27-18-12-10-17(11-13-18)23(26)20-16-24-21-9-5-4-8-19(21)22(20)25-14-6-2-3-7-15-25/h4-5,8-13,16H,2-3,6-7,14-15H2,1H3
InChIKeyOHFQFOLSSQZGNF-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.85
Rot. Bonds4

About [4-(azepan-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone

[4-(azepan-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone (PubChem CID 20882559) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is [4-(azepan-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(azepan-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone
PubChem CID20882559
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name[4-(azepan-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cnc3ccccc3c2N2CCCCCC2)cc1
InChIInChI=1S/C23H24N2O2/c1-27-18-12-10-17(11-13-18)23(26)20-16-24-21-9-5-4-8-19(21)22(20)25-14-6-2-3-7-15-25/h4-5,8-13,16H,2-3,6-7,14-15H2,1H3
InChIKeyOHFQFOLSSQZGNF-UHFFFAOYSA-N
XLogP4.85
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethoxyphenyl)-[4-(4-ethylpiperazin-1-yl)quinolin-3-yl]methanone
CID 7183668
[6-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-(4-methoxyphenyl)methanone
CID 20882587
4-(azepan-1-yl)quinoline-3-carbothioamide
CID 43669568
2-(4-methoxyphenyl)-3-piperidin-1-ylquinoline-4-carboxylic acid
CID 16643828
(4-chloro-6-methoxyquinolin-3-yl)-(4-methoxyphenyl)methanone
CID 53491110
N-[(4-methoxyphenyl)methyl]-1-piperidin-1-ylisoquinoline-4-carboxamide
CID 46360383
2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazoline
CID 731359
8-methoxy-4-pyrrolidin-1-ylquinoline-3-carboxylic acid
CID 39732432
1-(3-ethoxycarbonylquinolin-4-yl)piperidine-4-carboxylic acid
CID 122047501
[6-methoxy-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-(4-methoxyphenyl)methanone
CID 2137538
ethyl 4-thiomorpholin-4-ylquinoline-3-carboxylate
CID 52805665
ethyl 4-piperazin-1-ylquinoline-3-carboxylate
CID 13295826

Frequently Asked Questions

What is the IUPAC name of [4-(azepan-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-(azepan-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone (CID 20882559) is [4-(azepan-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-(azepan-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-(azepan-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2cnc3ccccc3c2N2CCCCCC2)cc1.
What is the InChIKey of [4-(azepan-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone?
The InChIKey is OHFQFOLSSQZGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-27-18-12-10-17(11-13-18)23(26)20-16-24-21-9-5-4-8-19(21)22(20)25-14-6-2-3-7-15-25/h4-5,8-13,16H,2-3,6-7,14-15H2,1H3.
What are the key properties of [4-(azepan-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone?
[4-(azepan-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone has a molecular weight of 360.46 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azepan-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 20882559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).