2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2,6-dimethylphenyl)acetamide

C22H18ClN3O3 — CID 20909064

IUPAC2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN1C(=O)c2cccnc2Oc2ccc(Cl)cc21
InChIInChI=1S/C22H18ClN3O3/c1-13-5-3-6-14(2)20(13)25-19(27)12-26-17-11-15(23)8-9-18(17)29-21-16(22(26)28)7-4-10-24-21/h3-11H,12H2,1-2H3,(H,25,27)
InChIKeyUYLPCGGZYGRVCD-UHFFFAOYSA-N
MW407.86 g/mol
LogP4.74
Rot. Bonds3

About 2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2,6-dimethylphenyl)acetamide

2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2,6-dimethylphenyl)acetamide (PubChem CID 20909064) has the molecular formula C22H18ClN3O3 and a molecular weight of 407.86 g/mol. Its IUPAC name is 2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2,6-dimethylphenyl)acetamide
PubChem CID20909064
Molecular FormulaC22H18ClN3O3
Molecular Weight407.86 g/mol
Exact Mass407.10
IUPAC Name2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN1C(=O)c2cccnc2Oc2ccc(Cl)cc21
InChIInChI=1S/C22H18ClN3O3/c1-13-5-3-6-14(2)20(13)25-19(27)12-26-17-11-15(23)8-9-18(17)29-21-16(22(26)28)7-4-10-24-21/h3-11H,12H2,1-2H3,(H,25,27)
InChIKeyUYLPCGGZYGRVCD-UHFFFAOYSA-N
XLogP4.74
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2,6-dimethylphenyl)acetamide with MolForge

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Related Compounds

2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-propan-2-ylacetamide
CID 20909078
2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetic acid
CID 20887664
N-(2,3-dimethylphenyl)-2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide
CID 20908990
2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2-methylphenyl)acetamide
CID 20908997
N-(2,4-dimethylphenyl)-2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide
CID 20908998
N-(2-chlorophenyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide
CID 20908896
N-(2,6-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 710877
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 31065986
3-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 46275520
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 1263385
N-benzyl-4-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)butanamide
CID 20909169
N-(2-morpholin-4-ylethyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide
CID 20908953

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2,6-dimethylphenyl)acetamide (CID 20909064) is 2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CN1C(=O)c2cccnc2Oc2ccc(Cl)cc21.
What is the InChIKey of 2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is UYLPCGGZYGRVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O3/c1-13-5-3-6-14(2)20(13)25-19(27)12-26-17-11-15(23)8-9-18(17)29-21-16(22(26)28)7-4-10-24-21/h3-11H,12H2,1-2H3,(H,25,27).
What are the key properties of 2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2,6-dimethylphenyl)acetamide?
2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 407.86 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 20909064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).