(3R)-3-(6-fluoro-4-oxoquinazolin-3-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one

C18H14FN3O2 — CID 51720999

IUPAC(3R)-3-(6-fluoro-4-oxoquinazolin-3-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1Nc2ccccc2CC[C@H]1n1cnc2ccc(F)cc2c1=O
InChIInChI=1S/C18H14FN3O2/c19-12-6-7-15-13(9-12)18(24)22(10-20-15)16-8-5-11-3-1-2-4-14(11)21-17(16)23/h1-4,6-7,9-10,16H,5,8H2,(H,21,23)/t16-/m1/s1
InChIKeyVAEACFCFVRAVDM-MRXNPFEDSA-N
MW323.33 g/mol
LogP2.66
Rot. Bonds1

About (3R)-3-(6-fluoro-4-oxoquinazolin-3-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one

(3R)-3-(6-fluoro-4-oxoquinazolin-3-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 51720999) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is (3R)-3-(6-fluoro-4-oxoquinazolin-3-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name(3R)-3-(6-fluoro-4-oxoquinazolin-3-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID51720999
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC Name(3R)-3-(6-fluoro-4-oxoquinazolin-3-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1Nc2ccccc2CC[C@H]1n1cnc2ccc(F)cc2c1=O
InChIInChI=1S/C18H14FN3O2/c19-12-6-7-15-13(9-12)18(24)22(10-20-15)16-8-5-11-3-1-2-4-14(11)21-17(16)23/h1-4,6-7,9-10,16H,5,8H2,(H,21,23)/t16-/m1/s1
InChIKeyVAEACFCFVRAVDM-MRXNPFEDSA-N
XLogP2.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-3-(6-fluoro-4-oxoquinazolin-3-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(6-fluoro-4-oxoquinazolin-3-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of (3R)-3-(6-fluoro-4-oxoquinazolin-3-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 51720999) is (3R)-3-(6-fluoro-4-oxoquinazolin-3-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for (3R)-3-(6-fluoro-4-oxoquinazolin-3-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for (3R)-3-(6-fluoro-4-oxoquinazolin-3-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one is O=C1Nc2ccccc2CC[C@H]1n1cnc2ccc(F)cc2c1=O.
What is the InChIKey of (3R)-3-(6-fluoro-4-oxoquinazolin-3-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is VAEACFCFVRAVDM-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H14FN3O2/c19-12-6-7-15-13(9-12)18(24)22(10-20-15)16-8-5-11-3-1-2-4-14(11)21-17(16)23/h1-4,6-7,9-10,16H,5,8H2,(H,21,23)/t16-/m1/s1.
What are the key properties of (3R)-3-(6-fluoro-4-oxoquinazolin-3-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
(3R)-3-(6-fluoro-4-oxoquinazolin-3-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 323.33 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(6-fluoro-4-oxoquinazolin-3-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 51720999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).