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

C19H20FN3O3 — CID 118352423

IUPAC10-fluoro-2-[(4-hydroxycyclohexyl)amino]-5-methylpyrido[4,3-b][1,4]benzoxazepin-6-one
SMILESCN1C(=O)c2cccc(F)c2Oc2cc(NC3CCC(O)CC3)ncc21
InChIInChI=1S/C19H20FN3O3/c1-23-15-10-21-17(22-11-5-7-12(24)8-6-11)9-16(15)26-18-13(19(23)25)3-2-4-14(18)20/h2-4,9-12,24H,5-8H2,1H3,(H,21,22)
InChIKeyYOAKYADZOXRGRX-UHFFFAOYSA-N
MW357.39 g/mol
LogP3.32
Rot. Bonds2

About 10-fluoro-2-[(4-hydroxycyclohexyl)amino]-5-methylpyrido[4,3-b][1,4]benzoxazepin-6-one

10-fluoro-2-[(4-hydroxycyclohexyl)amino]-5-methylpyrido[4,3-b][1,4]benzoxazepin-6-one (PubChem CID 118352423) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 10-fluoro-2-[(4-hydroxycyclohexyl)amino]-5-methylpyrido[4,3-b][1,4]benzoxazepin-6-one.

Molecular Properties

Compound Name10-fluoro-2-[(4-hydroxycyclohexyl)amino]-5-methylpyrido[4,3-b][1,4]benzoxazepin-6-one
PubChem CID118352423
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name10-fluoro-2-[(4-hydroxycyclohexyl)amino]-5-methylpyrido[4,3-b][1,4]benzoxazepin-6-one
SMILESCN1C(=O)c2cccc(F)c2Oc2cc(NC3CCC(O)CC3)ncc21
InChIInChI=1S/C19H20FN3O3/c1-23-15-10-21-17(22-11-5-7-12(24)8-6-11)9-16(15)26-18-13(19(23)25)3-2-4-14(18)20/h2-4,9-12,24H,5-8H2,1H3,(H,21,22)
InChIKeyYOAKYADZOXRGRX-UHFFFAOYSA-N
XLogP3.32
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 10-fluoro-2-[(4-hydroxycyclohexyl)amino]-5-methylpyrido[4,3-b][1,4]benzoxazepin-6-one with MolForge

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Launch Full Analysis

Related Compounds

Jts-653
CID 23628017
2-[(4-Hydroxycyclohexyl)amino]-5-methylpyrido[4,3-b][1,4]benzoxazepin-6-one
CID 118352429
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
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-Ethoxyphenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 4878784
2-ethoxy-N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 18107041
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(phenylcarbamoyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]pyridine-4-carboxamide
CID 44202717
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)carbamoyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]pyridine-4-carboxamide
CID 44202961
N-[(2S,3R)-3-methyl-2-[[methyl(phenylcarbamoyl)amino]methyl]-6-oxidanylidene-5-[(2R)-1-oxidanylpropan-2-yl]-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]pyridine-4-carboxamide
CID 44202965
(3S)-3-[(4-fluorobenzoyl)amino]-4-[4-[3-[(4-methoxy-2-pyridinyl)amino]propoxy]phenyl]butanoic acid
CID 90654507

Frequently Asked Questions

What is the IUPAC name of 10-fluoro-2-[(4-hydroxycyclohexyl)amino]-5-methylpyrido[4,3-b][1,4]benzoxazepin-6-one?
The IUPAC name of 10-fluoro-2-[(4-hydroxycyclohexyl)amino]-5-methylpyrido[4,3-b][1,4]benzoxazepin-6-one (CID 118352423) is 10-fluoro-2-[(4-hydroxycyclohexyl)amino]-5-methylpyrido[4,3-b][1,4]benzoxazepin-6-one.
What is the SMILES notation for 10-fluoro-2-[(4-hydroxycyclohexyl)amino]-5-methylpyrido[4,3-b][1,4]benzoxazepin-6-one?
The canonical SMILES for 10-fluoro-2-[(4-hydroxycyclohexyl)amino]-5-methylpyrido[4,3-b][1,4]benzoxazepin-6-one is CN1C(=O)c2cccc(F)c2Oc2cc(NC3CCC(O)CC3)ncc21.
What is the InChIKey of 10-fluoro-2-[(4-hydroxycyclohexyl)amino]-5-methylpyrido[4,3-b][1,4]benzoxazepin-6-one?
The InChIKey is YOAKYADZOXRGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-23-15-10-21-17(22-11-5-7-12(24)8-6-11)9-16(15)26-18-13(19(23)25)3-2-4-14(18)20/h2-4,9-12,24H,5-8H2,1H3,(H,21,22).
What are the key properties of 10-fluoro-2-[(4-hydroxycyclohexyl)amino]-5-methylpyrido[4,3-b][1,4]benzoxazepin-6-one?
10-fluoro-2-[(4-hydroxycyclohexyl)amino]-5-methylpyrido[4,3-b][1,4]benzoxazepin-6-one has a molecular weight of 357.39 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoro-2-[(4-hydroxycyclohexyl)amino]-5-methylpyrido[4,3-b][1,4]benzoxazepin-6-one is sourced from PubChem (CID 118352423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).