CID 162470235

C20H19N3O3W2 — CID 162470235

IUPAC—
SMILESCN1C(=O)C(NC(=O)C(=[W])CC(=[W])Cc2ccccc2)COc2cccnc21
InChIInChI=1S/C20H19N3O3.2W/c1-23-19-17(11-7-13-21-19)26-14-16(20(23)25)22-18(24)12-6-5-10-15-8-3-2-4-9-15;;/h2-4,7-9,11,13,16H,6,10,14H2,1H3,(H,22,24);;
InChIKeyHOVCGLMQHHTEAT-UHFFFAOYSA-N
MW717.07 g/mol
LogP0.99
Rot. Bonds6

About CID 162470235

CID 162470235 (PubChem CID 162470235) has the molecular formula C20H19N3O3W2 and a molecular weight of 717.07 g/mol.

Molecular Properties

Compound NameCID 162470235
PubChem CID162470235
Molecular FormulaC20H19N3O3W2
Molecular Weight717.07 g/mol
Exact Mass717.04
IUPAC Name—
SMILESCN1C(=O)C(NC(=O)C(=[W])CC(=[W])Cc2ccccc2)COc2cccnc21
InChIInChI=1S/C20H19N3O3.2W/c1-23-19-17(11-7-13-21-19)26-14-16(20(23)25)22-18(24)12-6-5-10-15-8-3-2-4-9-15;;/h2-4,7-9,11,13,16H,6,10,14H2,1H3,(H,22,24);;
InChIKeyHOVCGLMQHHTEAT-UHFFFAOYSA-N
XLogP0.99
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500717.07
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze CID 162470235 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-benzyl-N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-1,3,4-thiadiazole-2-carboxamide
CID 130298933
5-fluoro-1-[(4-fluorophenyl)methyl]-N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)pyrazole-3-carboxamide
CID 130299292
(3S)-3-amino-5-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one;5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,3,4-oxadiazole-2-carboxamide;ethyl 5-benzyl-1,3,4-oxadiazole-2-carboxylate;methane;hydrochloride
CID 160757177
(2Z)-2-[(3-cyanophenyl)methyl-methylhydrazinylidene]-2-(methylideneamino)-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]acetamide
CID 134417456
N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(1-phenylcyclopropyl)-1H-pyrazole-3-carboxamide
CID 130299263
1-[(3-cyanophenyl)methyl]-N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-1,2,4-triazole-3-carboxamide
CID 130299353
5-cyano-1-[(3-cyanophenyl)methyl]-N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)pyrazole-3-carboxamide
CID 130299330
N'-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-N-(2-phenylethyl)oxamide
CID 176882727
3-amino-5-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one;hydrochloride
CID 130298996
N'-(9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl)-N-(2-phenylethyl)oxamide
CID 176882642
1-[(2-methylphenyl)methyl]-N-(5-methyl-4-sulfanylidene-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-1,2,4-triazole-3-carboxamide
CID 164835670
4-(5-fluoro-3-pyridinyl)-5-methyl-N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)pyrimidine-2-carboxamide
CID 156842806

Frequently Asked Questions

What is the IUPAC name of CID 162470235?
The IUPAC name of CID 162470235 (CID 162470235) is not available.
What is the SMILES notation for CID 162470235?
The canonical SMILES for CID 162470235 is CN1C(=O)C(NC(=O)C(=[W])CC(=[W])Cc2ccccc2)COc2cccnc21.
What is the InChIKey of CID 162470235?
The InChIKey is HOVCGLMQHHTEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3.2W/c1-23-19-17(11-7-13-21-19)26-14-16(20(23)25)22-18(24)12-6-5-10-15-8-3-2-4-9-15;;/h2-4,7-9,11,13,16H,6,10,14H2,1H3,(H,22,24);;.
What are the key properties of CID 162470235?
CID 162470235 has a molecular weight of 717.07 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162470235 is sourced from PubChem (CID 162470235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).