(2S)-10-amino-2-cyclopropyl-7-methyl-1,2,3,5-tetrahydro-[1,4]oxazepino[6,5-c]quinolin-6-one

C16H19N3O2 — CID 168859186

IUPAC(2S)-10-amino-2-cyclopropyl-7-methyl-1,2,3,5-tetrahydro-[1,4]oxazepino[6,5-c]quinolin-6-one
SMILESCn1c(=O)c2c(c3cc(N)ccc31)N[C@@H](C1CC1)COC2
InChIInChI=1S/C16H19N3O2/c1-19-14-5-4-10(17)6-11(14)15-12(16(19)20)7-21-8-13(18-15)9-2-3-9/h4-6,9,13,18H,2-3,7-8,17H2,1H3/t13-/m1/s1
InChIKeyNYJXCWUFTZAIBO-CYBMUJFWSA-N
MW285.35 g/mol
LogP1.84
Rot. Bonds1

About (2S)-10-amino-2-cyclopropyl-7-methyl-1,2,3,5-tetrahydro-[1,4]oxazepino[6,5-c]quinolin-6-one

(2S)-10-amino-2-cyclopropyl-7-methyl-1,2,3,5-tetrahydro-[1,4]oxazepino[6,5-c]quinolin-6-one (PubChem CID 168859186) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (2S)-10-amino-2-cyclopropyl-7-methyl-1,2,3,5-tetrahydro-[1,4]oxazepino[6,5-c]quinolin-6-one.

Molecular Properties

Compound Name(2S)-10-amino-2-cyclopropyl-7-methyl-1,2,3,5-tetrahydro-[1,4]oxazepino[6,5-c]quinolin-6-one
PubChem CID168859186
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(2S)-10-amino-2-cyclopropyl-7-methyl-1,2,3,5-tetrahydro-[1,4]oxazepino[6,5-c]quinolin-6-one
SMILESCn1c(=O)c2c(c3cc(N)ccc31)N[C@@H](C1CC1)COC2
InChIInChI=1S/C16H19N3O2/c1-19-14-5-4-10(17)6-11(14)15-12(16(19)20)7-21-8-13(18-15)9-2-3-9/h4-6,9,13,18H,2-3,7-8,17H2,1H3/t13-/m1/s1
InChIKeyNYJXCWUFTZAIBO-CYBMUJFWSA-N
XLogP1.84
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S)-10-amino-2-cyclopropyl-7-methyl-1,2,3,5-tetrahydro-[1,4]oxazepino[6,5-c]quinolin-6-one with MolForge

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Launch Full Analysis

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-dimethyl-2,3-dihydro-1H-[1,4]oxazepino[6,5-c]quinoline-5,6-dione
CID 146191463
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-amino-2,7-dimethylspiro[2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinoline-3,1'-cyclopropane]-6-one
CID 146188997
10-amino-7-methyl-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-6-one
CID 146189034
(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
9-amino-1,6-dimethyl-2,3-dihydro-1H-pyrano[2,3-c]quinolin-5-one
CID 167211372
2-chloro-4-[[(2S)-2-cyclopropyl-7-methyl-5,6-dioxo-2,3-dihydro-1H-[1,4]oxazepino[6,5-c]quinolin-10-yl]amino]pyridine-3-carbonitrile
CID 146171999
6-amino-4-(cyclopropylamino)-1-methylquinolin-2-one
CID 142478419
(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
5-amino-1,3-dimethylbenzimidazol-2-one;azane
CID 67182672
(2S)-2,7-dimethyl-10-nitro-2,3-dihydro-1H-[1,4]oxazepino[6,5-c]quinoline-5,6-dione
CID 146171932

Frequently Asked Questions

What is the IUPAC name of (2S)-10-amino-2-cyclopropyl-7-methyl-1,2,3,5-tetrahydro-[1,4]oxazepino[6,5-c]quinolin-6-one?
The IUPAC name of (2S)-10-amino-2-cyclopropyl-7-methyl-1,2,3,5-tetrahydro-[1,4]oxazepino[6,5-c]quinolin-6-one (CID 168859186) is (2S)-10-amino-2-cyclopropyl-7-methyl-1,2,3,5-tetrahydro-[1,4]oxazepino[6,5-c]quinolin-6-one.
What is the SMILES notation for (2S)-10-amino-2-cyclopropyl-7-methyl-1,2,3,5-tetrahydro-[1,4]oxazepino[6,5-c]quinolin-6-one?
The canonical SMILES for (2S)-10-amino-2-cyclopropyl-7-methyl-1,2,3,5-tetrahydro-[1,4]oxazepino[6,5-c]quinolin-6-one is Cn1c(=O)c2c(c3cc(N)ccc31)N[C@@H](C1CC1)COC2.
What is the InChIKey of (2S)-10-amino-2-cyclopropyl-7-methyl-1,2,3,5-tetrahydro-[1,4]oxazepino[6,5-c]quinolin-6-one?
The InChIKey is NYJXCWUFTZAIBO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-19-14-5-4-10(17)6-11(14)15-12(16(19)20)7-21-8-13(18-15)9-2-3-9/h4-6,9,13,18H,2-3,7-8,17H2,1H3/t13-/m1/s1.
What are the key properties of (2S)-10-amino-2-cyclopropyl-7-methyl-1,2,3,5-tetrahydro-[1,4]oxazepino[6,5-c]quinolin-6-one?
(2S)-10-amino-2-cyclopropyl-7-methyl-1,2,3,5-tetrahydro-[1,4]oxazepino[6,5-c]quinolin-6-one has a molecular weight of 285.35 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-10-amino-2-cyclopropyl-7-methyl-1,2,3,5-tetrahydro-[1,4]oxazepino[6,5-c]quinolin-6-one is sourced from PubChem (CID 168859186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).