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

C17H16ClN3O3 — CID 20909078

IUPAC2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1C(=O)c2cccnc2Oc2ccc(Cl)cc21
InChIInChI=1S/C17H16ClN3O3/c1-10(2)20-15(22)9-21-13-8-11(18)5-6-14(13)24-16-12(17(21)23)4-3-7-19-16/h3-8,10H,9H2,1-2H3,(H,20,22)
InChIKeyRTSHPVAXVBWFSN-UHFFFAOYSA-N
MW345.79 g/mol
LogP3.01
Rot. Bonds3

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

2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-propan-2-ylacetamide (PubChem CID 20909078) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is 2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-propan-2-ylacetamide
PubChem CID20909078
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC Name2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1C(=O)c2cccnc2Oc2ccc(Cl)cc21
InChIInChI=1S/C17H16ClN3O3/c1-10(2)20-15(22)9-21-13-8-11(18)5-6-14(13)24-16-12(17(21)23)4-3-7-19-16/h3-8,10H,9H2,1-2H3,(H,20,22)
InChIKeyRTSHPVAXVBWFSN-UHFFFAOYSA-N
XLogP3.01
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2,6-dimethylphenyl)acetamide
CID 20909064
2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetic acid
CID 20887664
N-(2,4-dimethylphenyl)-2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide
CID 20908998
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-chlorophenyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide
CID 20908896
3-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 46275520
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
N-(2-hydroxyethyl)-2-(6-oxopyrido[2,3-b][1,4]benzoxazepin-5-yl)acetamide
CID 71827583
N-[2-(cyclohexen-1-yl)ethyl]-3-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)propanamide
CID 46275526
N-(3-methoxypropyl)-2-(6-oxopyrido[2,3-b][1,4]benzoxazepin-5-yl)acetamide
CID 71827593

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-propan-2-ylacetamide (CID 20909078) is 2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-propan-2-ylacetamide is CC(C)NC(=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-propan-2-ylacetamide?
The InChIKey is RTSHPVAXVBWFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c1-10(2)20-15(22)9-21-13-8-11(18)5-6-14(13)24-16-12(17(21)23)4-3-7-19-16/h3-8,10H,9H2,1-2H3,(H,20,22).
What are the key properties of 2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-propan-2-ylacetamide?
2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-propan-2-ylacetamide has a molecular weight of 345.79 g/mol, XLogP of 3.01, 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-propan-2-ylacetamide is sourced from PubChem (CID 20909078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).