(2S)-7,10-diethoxy-2-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline

C17H22N2O3 — CID 92593581

IUPAC(2S)-7,10-diethoxy-2-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline
SMILESCCOc1ccc(OCC)c2nc3c(cc12)CNC[C@H](C)O3
InChIInChI=1S/C17H22N2O3/c1-4-20-14-6-7-15(21-5-2)16-13(14)8-12-10-18-9-11(3)22-17(12)19-16/h6-8,11,18H,4-5,9-10H2,1-3H3/t11-/m0/s1
InChIKeyKWULHMHNFOLQAI-NSHDSACASA-N
MW302.37 g/mol
LogP2.90
Rot. Bonds4

About (2S)-7,10-diethoxy-2-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline

(2S)-7,10-diethoxy-2-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline (PubChem CID 92593581) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is (2S)-7,10-diethoxy-2-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline.

Molecular Properties

Compound Name(2S)-7,10-diethoxy-2-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline
PubChem CID92593581
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name(2S)-7,10-diethoxy-2-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline
SMILESCCOc1ccc(OCC)c2nc3c(cc12)CNC[C@H](C)O3
InChIInChI=1S/C17H22N2O3/c1-4-20-14-6-7-15(21-5-2)16-13(14)8-12-10-18-9-11(3)22-17(12)19-16/h6-8,11,18H,4-5,9-10H2,1-3H3/t11-/m0/s1
InChIKeyKWULHMHNFOLQAI-NSHDSACASA-N
XLogP2.90
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-7,10-diethoxy-2-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-ethyl-2-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline
CID 110233520
5,8-diethoxy-3-methylquinolin-2-amine
CID 63232028
5,8-diethoxy-3-ethyl-N-methylquinolin-2-amine
CID 63531557
6-ethoxy-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 160634725
methoxy-[(2R)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-8-yl]methanol
CID 145134038
7-ethoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 82129109
(4R)-7-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 9169681
3-(3,4-diethoxyphenyl)-5-methylpiperidine
CID 115375240
1-(2,5-diethoxyphenyl)-2-ethylpiperazine
CID 64937870
3-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine
CID 71302980
2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-8-carboxamide
CID 122440237
4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)piperidine
CID 63156343

Frequently Asked Questions

What is the IUPAC name of (2S)-7,10-diethoxy-2-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline?
The IUPAC name of (2S)-7,10-diethoxy-2-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline (CID 92593581) is (2S)-7,10-diethoxy-2-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline.
What is the SMILES notation for (2S)-7,10-diethoxy-2-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline?
The canonical SMILES for (2S)-7,10-diethoxy-2-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline is CCOc1ccc(OCC)c2nc3c(cc12)CNC[C@H](C)O3.
What is the InChIKey of (2S)-7,10-diethoxy-2-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline?
The InChIKey is KWULHMHNFOLQAI-NSHDSACASA-N. The full InChI is InChI=1S/C17H22N2O3/c1-4-20-14-6-7-15(21-5-2)16-13(14)8-12-10-18-9-11(3)22-17(12)19-16/h6-8,11,18H,4-5,9-10H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-7,10-diethoxy-2-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline?
(2S)-7,10-diethoxy-2-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline has a molecular weight of 302.37 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-7,10-diethoxy-2-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline is sourced from PubChem (CID 92593581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).