10-amino-7-methyl-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-6-one

C13H15N3O2 — CID 146189034

IUPAC10-amino-7-methyl-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-6-one
SMILESCn1c(=O)c2c(c3cc(N)ccc31)NCCCO2
InChIInChI=1S/C13H15N3O2/c1-16-10-4-3-8(14)7-9(10)11-12(13(16)17)18-6-2-5-15-11/h3-4,7,15H,2,5-6,14H2,1H3
InChIKeyZSTRGEITPLDUAT-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.32
Rot. Bonds

About 10-amino-7-methyl-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-6-one

10-amino-7-methyl-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-6-one (PubChem CID 146189034) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 10-amino-7-methyl-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-6-one.

Molecular Properties

Compound Name10-amino-7-methyl-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-6-one
PubChem CID146189034
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name10-amino-7-methyl-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-6-one
SMILESCn1c(=O)c2c(c3cc(N)ccc31)NCCCO2
InChIInChI=1S/C13H15N3O2/c1-16-10-4-3-8(14)7-9(10)11-12(13(16)17)18-6-2-5-15-11/h3-4,7,15H,2,5-6,14H2,1H3
InChIKeyZSTRGEITPLDUAT-UHFFFAOYSA-N
XLogP1.32
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 10-amino-7-methyl-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-6-one with MolForge

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Related Compounds

9-amino-2-cyclobutyl-6-methyl-2,3-dihydro-1H-[1,4]oxazino[2,3-c]quinolin-5-one
CID 146189000
10-amino-2,7-dimethylspiro[2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinoline-3,1'-cyclopropane]-6-one
CID 146188997
9-amino-1,6-dimethyl-2,3-dihydro-1H-pyrano[2,3-c]quinolin-5-one
CID 167211372
10-amino-2-cyclopropyl-3,3-difluoro-7-methyl-2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinolin-6-one
CID 155758518
10-[[5-chloro-2-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]amino]-7-methyl-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-6-one
CID 167211104
10-amino-2,7-dimethyl-2,3-dihydro-1H-[1,4]oxazepino[6,5-c]quinoline-5,6-dione
CID 146191463
(2S)-10-amino-2-cyclopropyl-7-methyl-1,2,3,5-tetrahydro-[1,4]oxazepino[6,5-c]quinolin-6-one
CID 168859186
(2R)-10-amino-2-cyclopropyl-7-(2,2-dimethoxyethyl)-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-6-one
CID 155758466
5-amino-1,3-dimethylbenzimidazol-2-one;azane
CID 67182672
9-methoxy-6-methyl-3,4-dihydro-2H-[1,4]oxazepino[6,7-b]indol-5-one
CID 21459900
6-amino-1-methylquinazolin-4-one
CID 130118535
(2R)-2-cyclopropyl-10-[(2,3-dichloro-4-pyridinyl)amino]-7-methyl-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-6-one
CID 146191441

Frequently Asked Questions

What is the IUPAC name of 10-amino-7-methyl-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-6-one?
The IUPAC name of 10-amino-7-methyl-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-6-one (CID 146189034) is 10-amino-7-methyl-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-6-one.
What is the SMILES notation for 10-amino-7-methyl-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-6-one?
The canonical SMILES for 10-amino-7-methyl-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-6-one is Cn1c(=O)c2c(c3cc(N)ccc31)NCCCO2.
What is the InChIKey of 10-amino-7-methyl-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-6-one?
The InChIKey is ZSTRGEITPLDUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-16-10-4-3-8(14)7-9(10)11-12(13(16)17)18-6-2-5-15-11/h3-4,7,15H,2,5-6,14H2,1H3.
What are the key properties of 10-amino-7-methyl-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-6-one?
10-amino-7-methyl-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-6-one has a molecular weight of 245.28 g/mol, XLogP of 1.32, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-amino-7-methyl-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-6-one is sourced from PubChem (CID 146189034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).