(4-ethyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone

C18H23N3O2 — CID 136553583

IUPAC(4-ethyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone
SMILESCCN1CCCN(C(=O)c2cc(OC)nc3ccccc23)CC1
InChIInChI=1S/C18H23N3O2/c1-3-20-9-6-10-21(12-11-20)18(22)15-13-17(23-2)19-16-8-5-4-7-14(15)16/h4-5,7-8,13H,3,6,9-12H2,1-2H3
InChIKeyQBVJHGLBYISHJN-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.41
Rot. Bonds3

About (4-ethyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone

(4-ethyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone (PubChem CID 136553583) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (4-ethyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone.

Molecular Properties

Compound Name(4-ethyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone
PubChem CID136553583
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(4-ethyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone
SMILESCCN1CCCN(C(=O)c2cc(OC)nc3ccccc23)CC1
InChIInChI=1S/C18H23N3O2/c1-3-20-9-6-10-21(12-11-20)18(22)15-13-17(23-2)19-16-8-5-4-7-14(15)16/h4-5,7-8,13H,3,6,9-12H2,1-2H3
InChIKeyQBVJHGLBYISHJN-UHFFFAOYSA-N
XLogP2.41
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-ethyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone with MolForge

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Related Compounds

2-[4-(2-methoxyquinoline-4-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 136553678
[4-(dimethylamino)azepan-1-yl]-(2-methoxyquinolin-4-yl)methanone
CID 56887327
[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 4259485
(4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 4202012
(2-methoxyquinolin-4-yl)-[4-(oxetan-3-yl)piperazin-1-yl]methanone
CID 177077672
[2-(2,5-dimethoxyphenyl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 35330467
(2,2-dimethyl-1,4-oxazepan-4-yl)-(2-methoxyquinolin-4-yl)methanone
CID 138034545
(2-methoxyquinolin-4-yl)-(3-pyridin-4-ylazetidin-1-yl)methanone
CID 119068199
(4-cyclopropyl-6-methyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone
CID 136553897
(2-methoxyquinolin-4-yl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
CID 45243447
[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 4586470
N,N-dimethyl-2-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 38417891

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone?
The IUPAC name of (4-ethyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone (CID 136553583) is (4-ethyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone.
What is the SMILES notation for (4-ethyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone?
The canonical SMILES for (4-ethyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone is CCN1CCCN(C(=O)c2cc(OC)nc3ccccc23)CC1.
What is the InChIKey of (4-ethyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone?
The InChIKey is QBVJHGLBYISHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-20-9-6-10-21(12-11-20)18(22)15-13-17(23-2)19-16-8-5-4-7-14(15)16/h4-5,7-8,13H,3,6,9-12H2,1-2H3.
What are the key properties of (4-ethyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone?
(4-ethyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone has a molecular weight of 313.40 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone is sourced from PubChem (CID 136553583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).