7-chloro-3-[(1R)-1-(4-chlorophenyl)ethyl]-6-fluoro-1H-quinazoline-2,4-dione

C16H11Cl2FN2O2 — CID 118498703

IUPAC7-chloro-3-[(1R)-1-(4-chlorophenyl)ethyl]-6-fluoro-1H-quinazoline-2,4-dione
SMILESC[C@H](c1ccc(Cl)cc1)n1c(=O)[nH]c2cc(Cl)c(F)cc2c1=O
InChIInChI=1S/C16H11Cl2FN2O2/c1-8(9-2-4-10(17)5-3-9)21-15(22)11-6-13(19)12(18)7-14(11)20-16(21)23/h2-8H,1H3,(H,20,23)/t8-/m1/s1
InChIKeyZFQVXMPURPICQA-MRVPVSSYSA-N
MW353.18 g/mol
LogP3.74
Rot. Bonds2

About 7-chloro-3-[(1R)-1-(4-chlorophenyl)ethyl]-6-fluoro-1H-quinazoline-2,4-dione

7-chloro-3-[(1R)-1-(4-chlorophenyl)ethyl]-6-fluoro-1H-quinazoline-2,4-dione (PubChem CID 118498703) has the molecular formula C16H11Cl2FN2O2 and a molecular weight of 353.18 g/mol. Its IUPAC name is 7-chloro-3-[(1R)-1-(4-chlorophenyl)ethyl]-6-fluoro-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-chloro-3-[(1R)-1-(4-chlorophenyl)ethyl]-6-fluoro-1H-quinazoline-2,4-dione
PubChem CID118498703
Molecular FormulaC16H11Cl2FN2O2
Molecular Weight353.18 g/mol
Exact Mass352.02
IUPAC Name7-chloro-3-[(1R)-1-(4-chlorophenyl)ethyl]-6-fluoro-1H-quinazoline-2,4-dione
SMILESC[C@H](c1ccc(Cl)cc1)n1c(=O)[nH]c2cc(Cl)c(F)cc2c1=O
InChIInChI=1S/C16H11Cl2FN2O2/c1-8(9-2-4-10(17)5-3-9)21-15(22)11-6-13(19)12(18)7-14(11)20-16(21)23/h2-8H,1H3,(H,20,23)/t8-/m1/s1
InChIKeyZFQVXMPURPICQA-MRVPVSSYSA-N
XLogP3.74
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.18
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[(1R)-1-(4-chlorophenyl)ethyl]-6-fluoro-1H-quinazoline-2,4-dione?
The IUPAC name of 7-chloro-3-[(1R)-1-(4-chlorophenyl)ethyl]-6-fluoro-1H-quinazoline-2,4-dione (CID 118498703) is 7-chloro-3-[(1R)-1-(4-chlorophenyl)ethyl]-6-fluoro-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-chloro-3-[(1R)-1-(4-chlorophenyl)ethyl]-6-fluoro-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-chloro-3-[(1R)-1-(4-chlorophenyl)ethyl]-6-fluoro-1H-quinazoline-2,4-dione is C[C@H](c1ccc(Cl)cc1)n1c(=O)[nH]c2cc(Cl)c(F)cc2c1=O.
What is the InChIKey of 7-chloro-3-[(1R)-1-(4-chlorophenyl)ethyl]-6-fluoro-1H-quinazoline-2,4-dione?
The InChIKey is ZFQVXMPURPICQA-MRVPVSSYSA-N. The full InChI is InChI=1S/C16H11Cl2FN2O2/c1-8(9-2-4-10(17)5-3-9)21-15(22)11-6-13(19)12(18)7-14(11)20-16(21)23/h2-8H,1H3,(H,20,23)/t8-/m1/s1.
What are the key properties of 7-chloro-3-[(1R)-1-(4-chlorophenyl)ethyl]-6-fluoro-1H-quinazoline-2,4-dione?
7-chloro-3-[(1R)-1-(4-chlorophenyl)ethyl]-6-fluoro-1H-quinazoline-2,4-dione has a molecular weight of 353.18 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[(1R)-1-(4-chlorophenyl)ethyl]-6-fluoro-1H-quinazoline-2,4-dione is sourced from PubChem (CID 118498703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).