(2-aminoquinolin-4-yl)-(1,4-oxazepan-4-yl)methanone

C15H17N3O2 — CID 62967322

IUPAC(2-aminoquinolin-4-yl)-(1,4-oxazepan-4-yl)methanone
SMILESNc1cc(C(=O)N2CCCOCC2)c2ccccc2n1
InChIInChI=1S/C15H17N3O2/c16-14-10-12(11-4-1-2-5-13(11)17-14)15(19)18-6-3-8-20-9-7-18/h1-2,4-5,10H,3,6-9H2,(H2,16,17)
InChIKeySQHOATKFXDLEPB-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.68
Rot. Bonds1

About (2-aminoquinolin-4-yl)-(1,4-oxazepan-4-yl)methanone

(2-aminoquinolin-4-yl)-(1,4-oxazepan-4-yl)methanone (PubChem CID 62967322) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is (2-aminoquinolin-4-yl)-(1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name(2-aminoquinolin-4-yl)-(1,4-oxazepan-4-yl)methanone
PubChem CID62967322
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name(2-aminoquinolin-4-yl)-(1,4-oxazepan-4-yl)methanone
SMILESNc1cc(C(=O)N2CCCOCC2)c2ccccc2n1
InChIInChI=1S/C15H17N3O2/c16-14-10-12(11-4-1-2-5-13(11)17-14)15(19)18-6-3-8-20-9-7-18/h1-2,4-5,10H,3,6-9H2,(H2,16,17)
InChIKeySQHOATKFXDLEPB-UHFFFAOYSA-N
XLogP1.68
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-aminoquinolin-4-yl)-(azepan-1-yl)methanone
CID 62154164
[2-(methylamino)quinolin-4-yl]-(1,4-oxazepan-4-yl)methanone
CID 62968729
(2-aminoquinolin-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81213722
(2-aminoquinolin-4-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81109203
[2-(4-bromophenoxy)quinolin-4-yl]-morpholin-4-ylmethanone
CID 8002841
[2-(2,5-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 35330401
2-[4-[4-(morpholine-4-carbonyl)quinolin-2-yl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55448995
[2-(2,5-dimethylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 899152
[2-(3-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 1261463
1-[4-[4-(morpholine-4-carbonyl)quinolin-2-yl]phenyl]propan-2-one;oxane;2-[4-(2-oxopropyl)phenyl]quinoline-4-carboxylic acid
CID 157235654
[2-[4-(morpholine-4-carbonyl)quinolin-2-yl]morpholin-4-yl]-phenylmethanone
CID 110251818
1-[2-[4-(morpholine-4-carbonyl)quinolin-2-yl]morpholin-4-yl]ethanone
CID 110251795

Frequently Asked Questions

What is the IUPAC name of (2-aminoquinolin-4-yl)-(1,4-oxazepan-4-yl)methanone?
The IUPAC name of (2-aminoquinolin-4-yl)-(1,4-oxazepan-4-yl)methanone (CID 62967322) is (2-aminoquinolin-4-yl)-(1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for (2-aminoquinolin-4-yl)-(1,4-oxazepan-4-yl)methanone?
The canonical SMILES for (2-aminoquinolin-4-yl)-(1,4-oxazepan-4-yl)methanone is Nc1cc(C(=O)N2CCCOCC2)c2ccccc2n1.
What is the InChIKey of (2-aminoquinolin-4-yl)-(1,4-oxazepan-4-yl)methanone?
The InChIKey is SQHOATKFXDLEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c16-14-10-12(11-4-1-2-5-13(11)17-14)15(19)18-6-3-8-20-9-7-18/h1-2,4-5,10H,3,6-9H2,(H2,16,17).
What are the key properties of (2-aminoquinolin-4-yl)-(1,4-oxazepan-4-yl)methanone?
(2-aminoquinolin-4-yl)-(1,4-oxazepan-4-yl)methanone has a molecular weight of 271.32 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminoquinolin-4-yl)-(1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 62967322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).