9-fluoro-12-prop-1-en-2-yl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one

C19H15FN2O — CID 11208967

IUPAC9-fluoro-12-prop-1-en-2-yl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one
SMILESC=C(C)n1c2c(c3cc(F)ccc31)CC(=O)Nc1ccccc1-2
InChIInChI=1S/C19H15FN2O/c1-11(2)22-17-8-7-12(20)9-14(17)15-10-18(23)21-16-6-4-3-5-13(16)19(15)22/h3-9H,1,10H2,2H3,(H,21,23)
InChIKeyCVRQUHRLXGLPIN-UHFFFAOYSA-N
MW306.34 g/mol
LogP4.43
Rot. Bonds1

About 9-fluoro-12-prop-1-en-2-yl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one

9-fluoro-12-prop-1-en-2-yl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one (PubChem CID 11208967) has the molecular formula C19H15FN2O and a molecular weight of 306.34 g/mol. Its IUPAC name is 9-fluoro-12-prop-1-en-2-yl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one.

Molecular Properties

Compound Name9-fluoro-12-prop-1-en-2-yl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one
PubChem CID11208967
Molecular FormulaC19H15FN2O
Molecular Weight306.34 g/mol
Exact Mass306.12
IUPAC Name9-fluoro-12-prop-1-en-2-yl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one
SMILESC=C(C)n1c2c(c3cc(F)ccc31)CC(=O)Nc1ccccc1-2
InChIInChI=1S/C19H15FN2O/c1-11(2)22-17-8-7-12(20)9-14(17)15-10-18(23)21-16-6-4-3-5-13(16)19(15)22/h3-9H,1,10H2,2H3,(H,21,23)
InChIKeyCVRQUHRLXGLPIN-UHFFFAOYSA-N
XLogP4.43
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-12-prop-1-en-2-yl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one?
The IUPAC name of 9-fluoro-12-prop-1-en-2-yl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one (CID 11208967) is 9-fluoro-12-prop-1-en-2-yl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one.
What is the SMILES notation for 9-fluoro-12-prop-1-en-2-yl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one?
The canonical SMILES for 9-fluoro-12-prop-1-en-2-yl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one is C=C(C)n1c2c(c3cc(F)ccc31)CC(=O)Nc1ccccc1-2.
What is the InChIKey of 9-fluoro-12-prop-1-en-2-yl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one?
The InChIKey is CVRQUHRLXGLPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O/c1-11(2)22-17-8-7-12(20)9-14(17)15-10-18(23)21-16-6-4-3-5-13(16)19(15)22/h3-9H,1,10H2,2H3,(H,21,23).
What are the key properties of 9-fluoro-12-prop-1-en-2-yl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one?
9-fluoro-12-prop-1-en-2-yl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one has a molecular weight of 306.34 g/mol, XLogP of 4.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-12-prop-1-en-2-yl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one is sourced from PubChem (CID 11208967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).