8-amino-3-morpholin-4-yl-1H-quinolin-2-one

C13H15N3O2 — CID 68704014

IUPAC8-amino-3-morpholin-4-yl-1H-quinolin-2-one
SMILESNc1cccc2cc(N3CCOCC3)c(=O)[nH]c12
InChIInChI=1S/C13H15N3O2/c14-10-3-1-2-9-8-11(13(17)15-12(9)10)16-4-6-18-7-5-16/h1-3,8H,4-7,14H2,(H,15,17)
InChIKeyLZBOXTYZMIMCRZ-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.95
Rot. Bonds1

About 8-amino-3-morpholin-4-yl-1H-quinolin-2-one

8-amino-3-morpholin-4-yl-1H-quinolin-2-one (PubChem CID 68704014) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 8-amino-3-morpholin-4-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name8-amino-3-morpholin-4-yl-1H-quinolin-2-one
PubChem CID68704014
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name8-amino-3-morpholin-4-yl-1H-quinolin-2-one
SMILESNc1cccc2cc(N3CCOCC3)c(=O)[nH]c12
InChIInChI=1S/C13H15N3O2/c14-10-3-1-2-9-8-11(13(17)15-12(9)10)16-4-6-18-7-5-16/h1-3,8H,4-7,14H2,(H,15,17)
InChIKeyLZBOXTYZMIMCRZ-UHFFFAOYSA-N
XLogP0.95
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-morpholin-4-ylquinolin-2-amine
CID 67346064
3-morpholin-4-ylnaphthalene-2-thiol
CID 91552952
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CID 163677804
4-morpholin-4-ylbenzo[g]chromen-2-one
CID 11346540
4-amino-N,N-dimethyl-3-morpholin-4-ylbenzenesulfonamide
CID 82899628
4-(3-fluoro-2-nitrophenyl)morpholine
CID 53255500
8-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-quinolin-2-one
CID 14627425
3-(2,3-dihydroindol-1-yl)-8-methyl-1H-quinolin-2-one
CID 14627403
2-amino-6-morpholin-4-ylbenzenecarboximidamide
CID 143704993
3-chloro-2-morpholin-4-ylaniline
CID 952393
5-methyl-2-morpholin-4-ylaniline
CID 18952141
6-amino-5-(1,4-oxazepan-4-yl)-3H-1,3-benzoxazol-2-one
CID 115425570

Frequently Asked Questions

What is the IUPAC name of 8-amino-3-morpholin-4-yl-1H-quinolin-2-one?
The IUPAC name of 8-amino-3-morpholin-4-yl-1H-quinolin-2-one (CID 68704014) is 8-amino-3-morpholin-4-yl-1H-quinolin-2-one.
What is the SMILES notation for 8-amino-3-morpholin-4-yl-1H-quinolin-2-one?
The canonical SMILES for 8-amino-3-morpholin-4-yl-1H-quinolin-2-one is Nc1cccc2cc(N3CCOCC3)c(=O)[nH]c12.
What is the InChIKey of 8-amino-3-morpholin-4-yl-1H-quinolin-2-one?
The InChIKey is LZBOXTYZMIMCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-10-3-1-2-9-8-11(13(17)15-12(9)10)16-4-6-18-7-5-16/h1-3,8H,4-7,14H2,(H,15,17).
What are the key properties of 8-amino-3-morpholin-4-yl-1H-quinolin-2-one?
8-amino-3-morpholin-4-yl-1H-quinolin-2-one has a molecular weight of 245.28 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3-morpholin-4-yl-1H-quinolin-2-one is sourced from PubChem (CID 68704014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).