6-chloro-7-(3-chloro-4-fluorophenyl)-8-[(2S)-3-hydroxy-2-methoxypropyl]sulfanyl-1H-quinazoline-2,4-dione

C18H15Cl2FN2O4S — CID 164740101

IUPAC6-chloro-7-(3-chloro-4-fluorophenyl)-8-[(2S)-3-hydroxy-2-methoxypropyl]sulfanyl-1H-quinazoline-2,4-dione
SMILESCO[C@@H](CO)CSc1c(-c2ccc(F)c(Cl)c2)c(Cl)cc2c(=O)[nH]c(=O)[nH]c12
InChIInChI=1S/C18H15Cl2FN2O4S/c1-27-9(6-24)7-28-16-14(8-2-3-13(21)11(19)4-8)12(20)5-10-15(16)22-18(26)23-17(10)25/h2-5,9,24H,6-7H2,1H3,(H2,22,23,25,26)/t9-/m0/s1
InChIKeyGYGFJERRPNNHOB-VIFPVBQESA-N
MW445.30 g/mol
LogP3.43
Rot. Bonds6

About 6-chloro-7-(3-chloro-4-fluorophenyl)-8-[(2S)-3-hydroxy-2-methoxypropyl]sulfanyl-1H-quinazoline-2,4-dione

6-chloro-7-(3-chloro-4-fluorophenyl)-8-[(2S)-3-hydroxy-2-methoxypropyl]sulfanyl-1H-quinazoline-2,4-dione (PubChem CID 164740101) has the molecular formula C18H15Cl2FN2O4S and a molecular weight of 445.30 g/mol. Its IUPAC name is 6-chloro-7-(3-chloro-4-fluorophenyl)-8-[(2S)-3-hydroxy-2-methoxypropyl]sulfanyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-chloro-7-(3-chloro-4-fluorophenyl)-8-[(2S)-3-hydroxy-2-methoxypropyl]sulfanyl-1H-quinazoline-2,4-dione
PubChem CID164740101
Molecular FormulaC18H15Cl2FN2O4S
Molecular Weight445.30 g/mol
Exact Mass444.01
IUPAC Name6-chloro-7-(3-chloro-4-fluorophenyl)-8-[(2S)-3-hydroxy-2-methoxypropyl]sulfanyl-1H-quinazoline-2,4-dione
SMILESCO[C@@H](CO)CSc1c(-c2ccc(F)c(Cl)c2)c(Cl)cc2c(=O)[nH]c(=O)[nH]c12
InChIInChI=1S/C18H15Cl2FN2O4S/c1-27-9(6-24)7-28-16-14(8-2-3-13(21)11(19)4-8)12(20)5-10-15(16)22-18(26)23-17(10)25/h2-5,9,24H,6-7H2,1H3,(H2,22,23,25,26)/t9-/m0/s1
InChIKeyGYGFJERRPNNHOB-VIFPVBQESA-N
XLogP3.43
TPSA95.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.30
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-chloro-7-(3-chloro-4-fluorophenyl)-8-[(2S)-3-hydroxy-2-methoxypropyl]sulfanyl-1H-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 6-chloro-7-(3-chloro-4-fluorophenyl)-8-[(2S)-3-hydroxy-2-methoxypropyl]sulfanyl-1H-quinazoline-2,4-dione?
The IUPAC name of 6-chloro-7-(3-chloro-4-fluorophenyl)-8-[(2S)-3-hydroxy-2-methoxypropyl]sulfanyl-1H-quinazoline-2,4-dione (CID 164740101) is 6-chloro-7-(3-chloro-4-fluorophenyl)-8-[(2S)-3-hydroxy-2-methoxypropyl]sulfanyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6-chloro-7-(3-chloro-4-fluorophenyl)-8-[(2S)-3-hydroxy-2-methoxypropyl]sulfanyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 6-chloro-7-(3-chloro-4-fluorophenyl)-8-[(2S)-3-hydroxy-2-methoxypropyl]sulfanyl-1H-quinazoline-2,4-dione is CO[C@@H](CO)CSc1c(-c2ccc(F)c(Cl)c2)c(Cl)cc2c(=O)[nH]c(=O)[nH]c12.
What is the InChIKey of 6-chloro-7-(3-chloro-4-fluorophenyl)-8-[(2S)-3-hydroxy-2-methoxypropyl]sulfanyl-1H-quinazoline-2,4-dione?
The InChIKey is GYGFJERRPNNHOB-VIFPVBQESA-N. The full InChI is InChI=1S/C18H15Cl2FN2O4S/c1-27-9(6-24)7-28-16-14(8-2-3-13(21)11(19)4-8)12(20)5-10-15(16)22-18(26)23-17(10)25/h2-5,9,24H,6-7H2,1H3,(H2,22,23,25,26)/t9-/m0/s1.
What are the key properties of 6-chloro-7-(3-chloro-4-fluorophenyl)-8-[(2S)-3-hydroxy-2-methoxypropyl]sulfanyl-1H-quinazoline-2,4-dione?
6-chloro-7-(3-chloro-4-fluorophenyl)-8-[(2S)-3-hydroxy-2-methoxypropyl]sulfanyl-1H-quinazoline-2,4-dione has a molecular weight of 445.30 g/mol, XLogP of 3.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-(3-chloro-4-fluorophenyl)-8-[(2S)-3-hydroxy-2-methoxypropyl]sulfanyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 164740101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).