6-fluoro-2-[(1S)-1-[(5-oxo-8H-quinazolin-4-yl)amino]ethyl]-3-(pyridin-2-ylmethyl)quinazolin-4-one

C24H19FN6O2 — CID 134427711

IUPAC6-fluoro-2-[(1S)-1-[(5-oxo-8H-quinazolin-4-yl)amino]ethyl]-3-(pyridin-2-ylmethyl)quinazolin-4-one
SMILESC[C@H](Nc1ncnc2c1C(=O)C=CC2)c1nc2ccc(F)cc2c(=O)n1Cc1ccccn1
InChIInChI=1S/C24H19FN6O2/c1-14(29-22-21-19(27-13-28-22)6-4-7-20(21)32)23-30-18-9-8-15(25)11-17(18)24(33)31(23)12-16-5-2-3-10-26-16/h2-5,7-11,13-14H,6,12H2,1H3,(H,27,28,29)/t14-/m0/s1
InChIKeyKCGNDAFXRSOHCG-AWEZNQCLSA-N
MW442.45 g/mol
LogP3.24
Rot. Bonds5

About 6-fluoro-2-[(1S)-1-[(5-oxo-8H-quinazolin-4-yl)amino]ethyl]-3-(pyridin-2-ylmethyl)quinazolin-4-one

6-fluoro-2-[(1S)-1-[(5-oxo-8H-quinazolin-4-yl)amino]ethyl]-3-(pyridin-2-ylmethyl)quinazolin-4-one (PubChem CID 134427711) has the molecular formula C24H19FN6O2 and a molecular weight of 442.45 g/mol. Its IUPAC name is 6-fluoro-2-[(1S)-1-[(5-oxo-8H-quinazolin-4-yl)amino]ethyl]-3-(pyridin-2-ylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name6-fluoro-2-[(1S)-1-[(5-oxo-8H-quinazolin-4-yl)amino]ethyl]-3-(pyridin-2-ylmethyl)quinazolin-4-one
PubChem CID134427711
Molecular FormulaC24H19FN6O2
Molecular Weight442.45 g/mol
Exact Mass442.16
IUPAC Name6-fluoro-2-[(1S)-1-[(5-oxo-8H-quinazolin-4-yl)amino]ethyl]-3-(pyridin-2-ylmethyl)quinazolin-4-one
SMILESC[C@H](Nc1ncnc2c1C(=O)C=CC2)c1nc2ccc(F)cc2c(=O)n1Cc1ccccn1
InChIInChI=1S/C24H19FN6O2/c1-14(29-22-21-19(27-13-28-22)6-4-7-20(21)32)23-30-18-9-8-15(25)11-17(18)24(33)31(23)12-16-5-2-3-10-26-16/h2-5,7-11,13-14H,6,12H2,1H3,(H,27,28,29)/t14-/m0/s1
InChIKeyKCGNDAFXRSOHCG-AWEZNQCLSA-N
XLogP3.24
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-fluoro-2-[(1S)-1-[(5-oxo-8H-quinazolin-4-yl)amino]ethyl]-3-(pyridin-2-ylmethyl)quinazolin-4-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 6-fluoro-2-[(1S)-1-[(5-oxo-8H-quinazolin-4-yl)amino]ethyl]-3-(pyridin-2-ylmethyl)quinazolin-4-one?
The IUPAC name of 6-fluoro-2-[(1S)-1-[(5-oxo-8H-quinazolin-4-yl)amino]ethyl]-3-(pyridin-2-ylmethyl)quinazolin-4-one (CID 134427711) is 6-fluoro-2-[(1S)-1-[(5-oxo-8H-quinazolin-4-yl)amino]ethyl]-3-(pyridin-2-ylmethyl)quinazolin-4-one.
What is the SMILES notation for 6-fluoro-2-[(1S)-1-[(5-oxo-8H-quinazolin-4-yl)amino]ethyl]-3-(pyridin-2-ylmethyl)quinazolin-4-one?
The canonical SMILES for 6-fluoro-2-[(1S)-1-[(5-oxo-8H-quinazolin-4-yl)amino]ethyl]-3-(pyridin-2-ylmethyl)quinazolin-4-one is C[C@H](Nc1ncnc2c1C(=O)C=CC2)c1nc2ccc(F)cc2c(=O)n1Cc1ccccn1.
What is the InChIKey of 6-fluoro-2-[(1S)-1-[(5-oxo-8H-quinazolin-4-yl)amino]ethyl]-3-(pyridin-2-ylmethyl)quinazolin-4-one?
The InChIKey is KCGNDAFXRSOHCG-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H19FN6O2/c1-14(29-22-21-19(27-13-28-22)6-4-7-20(21)32)23-30-18-9-8-15(25)11-17(18)24(33)31(23)12-16-5-2-3-10-26-16/h2-5,7-11,13-14H,6,12H2,1H3,(H,27,28,29)/t14-/m0/s1.
What are the key properties of 6-fluoro-2-[(1S)-1-[(5-oxo-8H-quinazolin-4-yl)amino]ethyl]-3-(pyridin-2-ylmethyl)quinazolin-4-one?
6-fluoro-2-[(1S)-1-[(5-oxo-8H-quinazolin-4-yl)amino]ethyl]-3-(pyridin-2-ylmethyl)quinazolin-4-one has a molecular weight of 442.45 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[(1S)-1-[(5-oxo-8H-quinazolin-4-yl)amino]ethyl]-3-(pyridin-2-ylmethyl)quinazolin-4-one is sourced from PubChem (CID 134427711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).