2-[(4-hydroxycyclohexyl)amino]-5-methylpyrido[4,3-b][1,4]benzoxazepin-6-one

C19H21N3O3 — CID 118352429

IUPAC2-[(4-hydroxycyclohexyl)amino]-5-methylpyrido[4,3-b][1,4]benzoxazepin-6-one
SMILESCN1C(=O)c2ccccc2Oc2cc(NC3CCC(O)CC3)ncc21
InChIInChI=1S/C19H21N3O3/c1-22-15-11-20-18(21-12-6-8-13(23)9-7-12)10-17(15)25-16-5-3-2-4-14(16)19(22)24/h2-5,10-13,23H,6-9H2,1H3,(H,20,21)
InChIKeyYOSFKTZILAAWFE-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.18
Rot. Bonds2

About 2-[(4-hydroxycyclohexyl)amino]-5-methylpyrido[4,3-b][1,4]benzoxazepin-6-one

2-[(4-hydroxycyclohexyl)amino]-5-methylpyrido[4,3-b][1,4]benzoxazepin-6-one (PubChem CID 118352429) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)amino]-5-methylpyrido[4,3-b][1,4]benzoxazepin-6-one.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)amino]-5-methylpyrido[4,3-b][1,4]benzoxazepin-6-one
PubChem CID118352429
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name2-[(4-hydroxycyclohexyl)amino]-5-methylpyrido[4,3-b][1,4]benzoxazepin-6-one
SMILESCN1C(=O)c2ccccc2Oc2cc(NC3CCC(O)CC3)ncc21
InChIInChI=1S/C19H21N3O3/c1-22-15-11-20-18(21-12-6-8-13(23)9-7-12)10-17(15)25-16-5-3-2-4-14(16)19(22)24/h2-5,10-13,23H,6-9H2,1H3,(H,20,21)
InChIKeyYOSFKTZILAAWFE-UHFFFAOYSA-N
XLogP3.18
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4-hydroxycyclohexyl)amino]-5-methylpyrido[4,3-b][1,4]benzoxazepin-6-one with MolForge

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Related Compounds

Jts-653
CID 23628017
Nevirapin 4-substituted deriv. 4p
CID 464536
8-Tert-butyl-4-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-2,3-dihydro-1,4-benzoxazepin-5-one
CID 59548549
10-Fluoro-2-[(4-hydroxycyclohexyl)amino]-5-methylpyrido[4,3-b][1,4]benzoxazepin-6-one
CID 118352423
7-Fluoro-2-[(4-hydroxycyclohexyl)amino]-5-methylpyrido[4,3-b][1,4]benzoxazepin-6-one
CID 124182258
7,10-Difluoro-2-[(4-hydroxycyclohexyl)amino]-5-methylpyrido[4,3-b][1,4]benzoxazepin-6-one
CID 124182259
Pyridoimidazolone, 27a
CID 42625163
2-Methoxy-N-(4-methyl-6-propionylamino-pyridin-3-yl)-benzamide
CID 644882
2-Methoxy-N-(6-pentanoylamino-pyridin-3-yl)-benzamide
CID 655705
2-{2-[(4-acetylphenyl)amino]-2-oxoethoxy}-N-(5-methyl-2-pyridinyl)benzamide
CID 1300378
2-methoxy-N-[5-[(4-methoxybenzoyl)amino]-2-pyridinyl]benzamide
CID 1449435
ethyl 3-(6H-pyrido[2,3-b][1,4]benzoxazepine-5-carbonylamino)benzoate
CID 16011634

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-5-methylpyrido[4,3-b][1,4]benzoxazepin-6-one?
The IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-5-methylpyrido[4,3-b][1,4]benzoxazepin-6-one (CID 118352429) is 2-[(4-hydroxycyclohexyl)amino]-5-methylpyrido[4,3-b][1,4]benzoxazepin-6-one.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)amino]-5-methylpyrido[4,3-b][1,4]benzoxazepin-6-one?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)amino]-5-methylpyrido[4,3-b][1,4]benzoxazepin-6-one is CN1C(=O)c2ccccc2Oc2cc(NC3CCC(O)CC3)ncc21.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)amino]-5-methylpyrido[4,3-b][1,4]benzoxazepin-6-one?
The InChIKey is YOSFKTZILAAWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-22-15-11-20-18(21-12-6-8-13(23)9-7-12)10-17(15)25-16-5-3-2-4-14(16)19(22)24/h2-5,10-13,23H,6-9H2,1H3,(H,20,21).
What are the key properties of 2-[(4-hydroxycyclohexyl)amino]-5-methylpyrido[4,3-b][1,4]benzoxazepin-6-one?
2-[(4-hydroxycyclohexyl)amino]-5-methylpyrido[4,3-b][1,4]benzoxazepin-6-one has a molecular weight of 339.40 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)amino]-5-methylpyrido[4,3-b][1,4]benzoxazepin-6-one is sourced from PubChem (CID 118352429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).