7-(6,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine

C22H24N2O4 — CID 118760142

IUPAC7-(6,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine
SMILESCOc1cc(OC)c2nc(-c3cc4c(c(OC)c3)OCCNC4)cc(C)c2c1
InChIInChI=1S/C22H24N2O4/c1-13-7-18(24-21-17(13)10-16(25-2)11-19(21)26-3)14-8-15-12-23-5-6-28-22(15)20(9-14)27-4/h7-11,23H,5-6,12H2,1-4H3
InChIKeyAZTSCYQHKKLVIC-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.72
Rot. Bonds4

About 7-(6,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine

7-(6,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine (PubChem CID 118760142) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 7-(6,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine.

Molecular Properties

Compound Name7-(6,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine
PubChem CID118760142
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name7-(6,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine
SMILESCOc1cc(OC)c2nc(-c3cc4c(c(OC)c3)OCCNC4)cc(C)c2c1
InChIInChI=1S/C22H24N2O4/c1-13-7-18(24-21-17(13)10-16(25-2)11-19(21)26-3)14-8-15-12-23-5-6-28-22(15)20(9-14)27-4/h7-11,23H,5-6,12H2,1-4H3
InChIKeyAZTSCYQHKKLVIC-UHFFFAOYSA-N
XLogP3.72
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(6,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine with MolForge

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Related Compounds

1-[3-[7-(6,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]phenyl]imidazolidin-2-one
CID 45235874
7-(1,3-benzothiazol-2-yl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 118760242
2-[9-methoxy-7-(8-methoxy-4-methylquinolin-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-methylacetamide
CID 56710503
cyclopropyl-[9-methoxy-7-(8-methoxy-4-methylquinolin-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone
CID 42171155
4-(1H-imidazol-2-ylmethyl)-9-methoxy-7-(8-methoxy-4-methylquinolin-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 56715015
8-methoxy-2-(5-methoxy-3-pyridinyl)-4-methyl-6-(4-methylpiperazin-1-yl)quinoline
CID 171908410
1-[9-methoxy-7-(8-methoxy-4-methylquinolin-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(5-methylpyrazol-1-yl)ethanone
CID 42376220
6,8-dimethoxy-4-methylquinoline-2-carbothioamide
CID 82574234
7-(5,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-4-[(1-methylpyrrol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 26331971
6,8-dimethoxy-4-methyl-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)quinolin-2-amine;hydrochloride
CID 154915409
1-(6,8-dimethoxy-4-methylquinolin-2-yl)propan-2-amine
CID 82577528
1-[7-(5,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 42357935

Frequently Asked Questions

What is the IUPAC name of 7-(6,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine?
The IUPAC name of 7-(6,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine (CID 118760142) is 7-(6,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine.
What is the SMILES notation for 7-(6,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine?
The canonical SMILES for 7-(6,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine is COc1cc(OC)c2nc(-c3cc4c(c(OC)c3)OCCNC4)cc(C)c2c1.
What is the InChIKey of 7-(6,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine?
The InChIKey is AZTSCYQHKKLVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-13-7-18(24-21-17(13)10-16(25-2)11-19(21)26-3)14-8-15-12-23-5-6-28-22(15)20(9-14)27-4/h7-11,23H,5-6,12H2,1-4H3.
What are the key properties of 7-(6,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine?
7-(6,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine has a molecular weight of 380.44 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine is sourced from PubChem (CID 118760142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).