(7S)-5-(2-hydroxyethyl)-7-(methylamino)-7H-pyrido[2,3-d][3]benzazepin-6-one

C16H17N3O2 — CID 167096419

IUPAC(7S)-5-(2-hydroxyethyl)-7-(methylamino)-7H-pyrido[2,3-d][3]benzazepin-6-one
SMILESCN[C@@H]1C(=O)N(CCO)c2ncccc2-c2ccccc21
InChIInChI=1S/C16H17N3O2/c1-17-14-12-6-3-2-5-11(12)13-7-4-8-18-15(13)19(9-10-20)16(14)21/h2-8,14,17,20H,9-10H2,1H3/t14-/m0/s1
InChIKeyOZUBDNMINGZYAJ-AWEZNQCLSA-N
MW283.33 g/mol
LogP1.35
Rot. Bonds3

About (7S)-5-(2-hydroxyethyl)-7-(methylamino)-7H-pyrido[2,3-d][3]benzazepin-6-one

(7S)-5-(2-hydroxyethyl)-7-(methylamino)-7H-pyrido[2,3-d][3]benzazepin-6-one (PubChem CID 167096419) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is (7S)-5-(2-hydroxyethyl)-7-(methylamino)-7H-pyrido[2,3-d][3]benzazepin-6-one.

Molecular Properties

Compound Name(7S)-5-(2-hydroxyethyl)-7-(methylamino)-7H-pyrido[2,3-d][3]benzazepin-6-one
PubChem CID167096419
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name(7S)-5-(2-hydroxyethyl)-7-(methylamino)-7H-pyrido[2,3-d][3]benzazepin-6-one
SMILESCN[C@@H]1C(=O)N(CCO)c2ncccc2-c2ccccc21
InChIInChI=1S/C16H17N3O2/c1-17-14-12-6-3-2-5-11(12)13-7-4-8-18-15(13)19(9-10-20)16(14)21/h2-8,14,17,20H,9-10H2,1H3/t14-/m0/s1
InChIKeyOZUBDNMINGZYAJ-AWEZNQCLSA-N
XLogP1.35
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (7S)-5-(2-hydroxyethyl)-7-(methylamino)-7H-pyrido[2,3-d][3]benzazepin-6-one 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

CID 71236992
CID 71236992
CID 124660563
CID 124660563
CID 56949760
CID 56949760
CID 2852795
CID 2852795
CID 4044164
CID 4044164
CID 18107076
CID 18107076
CID 24981084
CID 24981084
CID 3239768
CID 3239768
CID 23656920
CID 23656920
CID 4058680
CID 4058680
CID 646148
CID 646148
CID 650893
CID 650893

Frequently Asked Questions

What is the IUPAC name of (7S)-5-(2-hydroxyethyl)-7-(methylamino)-7H-pyrido[2,3-d][3]benzazepin-6-one?
The IUPAC name of (7S)-5-(2-hydroxyethyl)-7-(methylamino)-7H-pyrido[2,3-d][3]benzazepin-6-one (CID 167096419) is (7S)-5-(2-hydroxyethyl)-7-(methylamino)-7H-pyrido[2,3-d][3]benzazepin-6-one.
What is the SMILES notation for (7S)-5-(2-hydroxyethyl)-7-(methylamino)-7H-pyrido[2,3-d][3]benzazepin-6-one?
The canonical SMILES for (7S)-5-(2-hydroxyethyl)-7-(methylamino)-7H-pyrido[2,3-d][3]benzazepin-6-one is CN[C@@H]1C(=O)N(CCO)c2ncccc2-c2ccccc21.
What is the InChIKey of (7S)-5-(2-hydroxyethyl)-7-(methylamino)-7H-pyrido[2,3-d][3]benzazepin-6-one?
The InChIKey is OZUBDNMINGZYAJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-17-14-12-6-3-2-5-11(12)13-7-4-8-18-15(13)19(9-10-20)16(14)21/h2-8,14,17,20H,9-10H2,1H3/t14-/m0/s1.
What are the key properties of (7S)-5-(2-hydroxyethyl)-7-(methylamino)-7H-pyrido[2,3-d][3]benzazepin-6-one?
(7S)-5-(2-hydroxyethyl)-7-(methylamino)-7H-pyrido[2,3-d][3]benzazepin-6-one has a molecular weight of 283.33 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-5-(2-hydroxyethyl)-7-(methylamino)-7H-pyrido[2,3-d][3]benzazepin-6-one is sourced from PubChem (CID 167096419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).