10-(6-fluoro-3-pyridinyl)-3-methoxy-6-methyl-7H-pyrido[2,3-d][2]benzazepin-5-one

C20H16FN3O2 — CID 142469552

IUPAC10-(6-fluoro-3-pyridinyl)-3-methoxy-6-methyl-7H-pyrido[2,3-d][2]benzazepin-5-one
SMILESCOc1ccc2c(n1)C(=O)N(C)Cc1ccc(-c3ccc(F)nc3)cc1-2
InChIInChI=1S/C20H16FN3O2/c1-24-11-14-4-3-12(13-5-7-17(21)22-10-13)9-16(14)15-6-8-18(26-2)23-19(15)20(24)25/h3-10H,11H2,1-2H3
InChIKeyAFCVLCPBYAZGOJ-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.54
Rot. Bonds2

About 10-(6-fluoro-3-pyridinyl)-3-methoxy-6-methyl-7H-pyrido[2,3-d][2]benzazepin-5-one

10-(6-fluoro-3-pyridinyl)-3-methoxy-6-methyl-7H-pyrido[2,3-d][2]benzazepin-5-one (PubChem CID 142469552) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 10-(6-fluoro-3-pyridinyl)-3-methoxy-6-methyl-7H-pyrido[2,3-d][2]benzazepin-5-one.

Molecular Properties

Compound Name10-(6-fluoro-3-pyridinyl)-3-methoxy-6-methyl-7H-pyrido[2,3-d][2]benzazepin-5-one
PubChem CID142469552
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name10-(6-fluoro-3-pyridinyl)-3-methoxy-6-methyl-7H-pyrido[2,3-d][2]benzazepin-5-one
SMILESCOc1ccc2c(n1)C(=O)N(C)Cc1ccc(-c3ccc(F)nc3)cc1-2
InChIInChI=1S/C20H16FN3O2/c1-24-11-14-4-3-12(13-5-7-17(21)22-10-13)9-16(14)15-6-8-18(26-2)23-19(15)20(24)25/h3-10H,11H2,1-2H3
InChIKeyAFCVLCPBYAZGOJ-UHFFFAOYSA-N
XLogP3.54
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(6-fluoro-3-pyridinyl)-3-methoxy-6-methyl-7H-pyrido[2,3-d][2]benzazepin-5-one?
The IUPAC name of 10-(6-fluoro-3-pyridinyl)-3-methoxy-6-methyl-7H-pyrido[2,3-d][2]benzazepin-5-one (CID 142469552) is 10-(6-fluoro-3-pyridinyl)-3-methoxy-6-methyl-7H-pyrido[2,3-d][2]benzazepin-5-one.
What is the SMILES notation for 10-(6-fluoro-3-pyridinyl)-3-methoxy-6-methyl-7H-pyrido[2,3-d][2]benzazepin-5-one?
The canonical SMILES for 10-(6-fluoro-3-pyridinyl)-3-methoxy-6-methyl-7H-pyrido[2,3-d][2]benzazepin-5-one is COc1ccc2c(n1)C(=O)N(C)Cc1ccc(-c3ccc(F)nc3)cc1-2.
What is the InChIKey of 10-(6-fluoro-3-pyridinyl)-3-methoxy-6-methyl-7H-pyrido[2,3-d][2]benzazepin-5-one?
The InChIKey is AFCVLCPBYAZGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c1-24-11-14-4-3-12(13-5-7-17(21)22-10-13)9-16(14)15-6-8-18(26-2)23-19(15)20(24)25/h3-10H,11H2,1-2H3.
What are the key properties of 10-(6-fluoro-3-pyridinyl)-3-methoxy-6-methyl-7H-pyrido[2,3-d][2]benzazepin-5-one?
10-(6-fluoro-3-pyridinyl)-3-methoxy-6-methyl-7H-pyrido[2,3-d][2]benzazepin-5-one has a molecular weight of 349.37 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(6-fluoro-3-pyridinyl)-3-methoxy-6-methyl-7H-pyrido[2,3-d][2]benzazepin-5-one is sourced from PubChem (CID 142469552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).