(2R)-2-methyl-9-quinolin-3-yl-3,5-dihydro-2H-1,5-benzoxazepin-4-one

C19H16N2O2 — CID 121277994

IUPAC(2R)-2-methyl-9-quinolin-3-yl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESC[C@@H]1CC(=O)Nc2cccc(-c3cnc4ccccc4c3)c2O1
InChIInChI=1S/C19H16N2O2/c1-12-9-18(22)21-17-8-4-6-15(19(17)23-12)14-10-13-5-2-3-7-16(13)20-11-14/h2-8,10-12H,9H2,1H3,(H,21,22)/t12-/m1/s1
InChIKeyNEUTUPZNZAVUIL-GFCCVEGCSA-N
MW304.35 g/mol
LogP4.01
Rot. Bonds1

About (2R)-2-methyl-9-quinolin-3-yl-3,5-dihydro-2H-1,5-benzoxazepin-4-one

(2R)-2-methyl-9-quinolin-3-yl-3,5-dihydro-2H-1,5-benzoxazepin-4-one (PubChem CID 121277994) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is (2R)-2-methyl-9-quinolin-3-yl-3,5-dihydro-2H-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name(2R)-2-methyl-9-quinolin-3-yl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
PubChem CID121277994
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name(2R)-2-methyl-9-quinolin-3-yl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESC[C@@H]1CC(=O)Nc2cccc(-c3cnc4ccccc4c3)c2O1
InChIInChI=1S/C19H16N2O2/c1-12-9-18(22)21-17-8-4-6-15(19(17)23-12)14-10-13-5-2-3-7-16(13)20-11-14/h2-8,10-12H,9H2,1H3,(H,21,22)/t12-/m1/s1
InChIKeyNEUTUPZNZAVUIL-GFCCVEGCSA-N
XLogP4.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-methyl-9-quinolin-3-yl-3,5-dihydro-2H-1,5-benzoxazepin-4-one with MolForge

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Related Compounds

N-[(8-hydroxy-7-quinolyl)-(2-methoxyphenyl)methyl]butanamide
CID 2876596
N-[2-(quinolin-8-yloxy)ethyl]acetamide
CID 3104609
N-isoquinolin-6-yl-2-(2-methylphenoxy)acetamide
CID 138115404
2-ethoxy-N-quinolin-8-ylbenzamide
CID 836546
N-[(8-Hydroxy-quinolin-7-yl)-(3-methoxy-phenyl)-methyl]-acetamide
CID 3132202
N-phenyl-2-(8-quinolyloxy)acetamide
CID 2102305
6-[[1-(2-quinolin-5-yloxyethyl)piperidin-4-yl]methyl]-4H-1,4-benzoxazin-3-one
CID 10223717
(2S)-N-[(3S)-5-[(3-methoxyquinolin-4-yl)methyl]-4-oxospiro[3H-1,5-benzoxazepine-2,4'-oxane]-3-yl]-2-(methylamino)propanamide;hydrochloride
CID 72713166
(R)-4-((R)-1-(7-phenylquinolin-5-yloxy)ethyl)pyrrolidin-2-one
CID 71237983
(4R)-4-[(1R)-1-[7-[4-(morpholin-4-ylmethyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241912
N-methyl-N-[[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]phenyl]methyl]acetamide
CID 71241920
N-ethyl-N-[[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]phenyl]methyl]acetamide
CID 71241927

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-9-quinolin-3-yl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The IUPAC name of (2R)-2-methyl-9-quinolin-3-yl-3,5-dihydro-2H-1,5-benzoxazepin-4-one (CID 121277994) is (2R)-2-methyl-9-quinolin-3-yl-3,5-dihydro-2H-1,5-benzoxazepin-4-one.
What is the SMILES notation for (2R)-2-methyl-9-quinolin-3-yl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The canonical SMILES for (2R)-2-methyl-9-quinolin-3-yl-3,5-dihydro-2H-1,5-benzoxazepin-4-one is C[C@@H]1CC(=O)Nc2cccc(-c3cnc4ccccc4c3)c2O1.
What is the InChIKey of (2R)-2-methyl-9-quinolin-3-yl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The InChIKey is NEUTUPZNZAVUIL-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-12-9-18(22)21-17-8-4-6-15(19(17)23-12)14-10-13-5-2-3-7-16(13)20-11-14/h2-8,10-12H,9H2,1H3,(H,21,22)/t12-/m1/s1.
What are the key properties of (2R)-2-methyl-9-quinolin-3-yl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
(2R)-2-methyl-9-quinolin-3-yl-3,5-dihydro-2H-1,5-benzoxazepin-4-one has a molecular weight of 304.35 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-9-quinolin-3-yl-3,5-dihydro-2H-1,5-benzoxazepin-4-one is sourced from PubChem (CID 121277994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).