[2-(methylamino)quinolin-4-yl]-(1,4-oxazepan-4-yl)methanone

C16H19N3O2 — CID 62968729

IUPAC[2-(methylamino)quinolin-4-yl]-(1,4-oxazepan-4-yl)methanone
SMILESCNc1cc(C(=O)N2CCCOCC2)c2ccccc2n1
InChIInChI=1S/C16H19N3O2/c1-17-15-11-13(12-5-2-3-6-14(12)18-15)16(20)19-7-4-9-21-10-8-19/h2-3,5-6,11H,4,7-10H2,1H3,(H,17,18)
InChIKeyUYWUCAHMCKDXLP-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.14
Rot. Bonds2

About [2-(methylamino)quinolin-4-yl]-(1,4-oxazepan-4-yl)methanone

[2-(methylamino)quinolin-4-yl]-(1,4-oxazepan-4-yl)methanone (PubChem CID 62968729) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is [2-(methylamino)quinolin-4-yl]-(1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name[2-(methylamino)quinolin-4-yl]-(1,4-oxazepan-4-yl)methanone
PubChem CID62968729
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name[2-(methylamino)quinolin-4-yl]-(1,4-oxazepan-4-yl)methanone
SMILESCNc1cc(C(=O)N2CCCOCC2)c2ccccc2n1
InChIInChI=1S/C16H19N3O2/c1-17-15-11-13(12-5-2-3-6-14(12)18-15)16(20)19-7-4-9-21-10-8-19/h2-3,5-6,11H,4,7-10H2,1H3,(H,17,18)
InChIKeyUYWUCAHMCKDXLP-UHFFFAOYSA-N
XLogP2.14
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(methylamino)quinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 62170916
(2-aminoquinolin-4-yl)-(1,4-oxazepan-4-yl)methanone
CID 62967322
(3,4-dihydroxypyrrolidin-1-yl)-[2-(methylamino)quinolin-4-yl]methanone
CID 106673774
morpholin-4-yl-[2-[[(2R)-oxolan-2-yl]methylamino]quinolin-4-yl]methanone
CID 94476970
(3,4-dimethylpyrrolidin-1-yl)-[2-(methylamino)quinolin-4-yl]methanone
CID 79179423
[2-[(4-fluorophenyl)methylamino]quinolin-4-yl]-morpholin-4-ylmethanone
CID 8006719
[2-[2-(cyclohexen-1-yl)ethylamino]quinolin-4-yl]-morpholin-4-ylmethanone
CID 75402193
[2-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone
CID 60504469
[2-(2,5-dimethylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 899152
[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]quinolin-4-yl]-morpholin-4-ylmethanone
CID 55680640
1-[2-[4-(morpholine-4-carbonyl)quinolin-2-yl]morpholin-4-yl]ethanone
CID 110251795
[2-(methylamino)quinolin-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 95772487

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)quinolin-4-yl]-(1,4-oxazepan-4-yl)methanone?
The IUPAC name of [2-(methylamino)quinolin-4-yl]-(1,4-oxazepan-4-yl)methanone (CID 62968729) is [2-(methylamino)quinolin-4-yl]-(1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for [2-(methylamino)quinolin-4-yl]-(1,4-oxazepan-4-yl)methanone?
The canonical SMILES for [2-(methylamino)quinolin-4-yl]-(1,4-oxazepan-4-yl)methanone is CNc1cc(C(=O)N2CCCOCC2)c2ccccc2n1.
What is the InChIKey of [2-(methylamino)quinolin-4-yl]-(1,4-oxazepan-4-yl)methanone?
The InChIKey is UYWUCAHMCKDXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-17-15-11-13(12-5-2-3-6-14(12)18-15)16(20)19-7-4-9-21-10-8-19/h2-3,5-6,11H,4,7-10H2,1H3,(H,17,18).
What are the key properties of [2-(methylamino)quinolin-4-yl]-(1,4-oxazepan-4-yl)methanone?
[2-(methylamino)quinolin-4-yl]-(1,4-oxazepan-4-yl)methanone has a molecular weight of 285.35 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)quinolin-4-yl]-(1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 62968729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).