7-chloro-3-(2,4-difluorophenyl)-1-(2-morpholin-4-yl-2-oxoethyl)quinazoline-2,4-dione

C20H16ClF2N3O4 — CID 42811198

IUPAC7-chloro-3-(2,4-difluorophenyl)-1-(2-morpholin-4-yl-2-oxoethyl)quinazoline-2,4-dione
SMILESO=C(Cn1c(=O)n(-c2ccc(F)cc2F)c(=O)c2ccc(Cl)cc21)N1CCOCC1
InChIInChI=1S/C20H16ClF2N3O4/c21-12-1-3-14-17(9-12)25(11-18(27)24-5-7-30-8-6-24)20(29)26(19(14)28)16-4-2-13(22)10-15(16)23/h1-4,9-10H,5-8,11H2
InChIKeyCDJBVYIUVUVZQA-UHFFFAOYSA-N
MW435.81 g/mol
LogP1.94
Rot. Bonds3

About 7-chloro-3-(2,4-difluorophenyl)-1-(2-morpholin-4-yl-2-oxoethyl)quinazoline-2,4-dione

7-chloro-3-(2,4-difluorophenyl)-1-(2-morpholin-4-yl-2-oxoethyl)quinazoline-2,4-dione (PubChem CID 42811198) has the molecular formula C20H16ClF2N3O4 and a molecular weight of 435.81 g/mol. Its IUPAC name is 7-chloro-3-(2,4-difluorophenyl)-1-(2-morpholin-4-yl-2-oxoethyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name7-chloro-3-(2,4-difluorophenyl)-1-(2-morpholin-4-yl-2-oxoethyl)quinazoline-2,4-dione
PubChem CID42811198
Molecular FormulaC20H16ClF2N3O4
Molecular Weight435.81 g/mol
Exact Mass435.08
IUPAC Name7-chloro-3-(2,4-difluorophenyl)-1-(2-morpholin-4-yl-2-oxoethyl)quinazoline-2,4-dione
SMILESO=C(Cn1c(=O)n(-c2ccc(F)cc2F)c(=O)c2ccc(Cl)cc21)N1CCOCC1
InChIInChI=1S/C20H16ClF2N3O4/c21-12-1-3-14-17(9-12)25(11-18(27)24-5-7-30-8-6-24)20(29)26(19(14)28)16-4-2-13(22)10-15(16)23/h1-4,9-10H,5-8,11H2
InChIKeyCDJBVYIUVUVZQA-UHFFFAOYSA-N
XLogP1.94
TPSA73.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.81
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-chloro-3-(2,4-difluorophenyl)-1-(2-morpholin-4-yl-2-oxoethyl)quinazoline-2,4-dione 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 7-chloro-3-(2,4-difluorophenyl)-1-(2-morpholin-4-yl-2-oxoethyl)quinazoline-2,4-dione?
The IUPAC name of 7-chloro-3-(2,4-difluorophenyl)-1-(2-morpholin-4-yl-2-oxoethyl)quinazoline-2,4-dione (CID 42811198) is 7-chloro-3-(2,4-difluorophenyl)-1-(2-morpholin-4-yl-2-oxoethyl)quinazoline-2,4-dione.
What is the SMILES notation for 7-chloro-3-(2,4-difluorophenyl)-1-(2-morpholin-4-yl-2-oxoethyl)quinazoline-2,4-dione?
The canonical SMILES for 7-chloro-3-(2,4-difluorophenyl)-1-(2-morpholin-4-yl-2-oxoethyl)quinazoline-2,4-dione is O=C(Cn1c(=O)n(-c2ccc(F)cc2F)c(=O)c2ccc(Cl)cc21)N1CCOCC1.
What is the InChIKey of 7-chloro-3-(2,4-difluorophenyl)-1-(2-morpholin-4-yl-2-oxoethyl)quinazoline-2,4-dione?
The InChIKey is CDJBVYIUVUVZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF2N3O4/c21-12-1-3-14-17(9-12)25(11-18(27)24-5-7-30-8-6-24)20(29)26(19(14)28)16-4-2-13(22)10-15(16)23/h1-4,9-10H,5-8,11H2.
What are the key properties of 7-chloro-3-(2,4-difluorophenyl)-1-(2-morpholin-4-yl-2-oxoethyl)quinazoline-2,4-dione?
7-chloro-3-(2,4-difluorophenyl)-1-(2-morpholin-4-yl-2-oxoethyl)quinazoline-2,4-dione has a molecular weight of 435.81 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(2,4-difluorophenyl)-1-(2-morpholin-4-yl-2-oxoethyl)quinazoline-2,4-dione is sourced from PubChem (CID 42811198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).