(2S)-2-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-quinazolin-4-one

C14H9Cl2FN2O — CID 6976487

IUPAC(2S)-2-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1N[C@@H](c2ccc(Cl)c(Cl)c2)Nc2cccc(F)c21
InChIInChI=1S/C14H9Cl2FN2O/c15-8-5-4-7(6-9(8)16)13-18-11-3-1-2-10(17)12(11)14(20)19-13/h1-6,13,18H,(H,19,20)/t13-/m0/s1
InChIKeyPVKKHXJOVRADCP-ZDUSSCGKSA-N
MW311.14 g/mol
LogP3.99
Rot. Bonds1

About (2S)-2-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-quinazolin-4-one

(2S)-2-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 6976487) has the molecular formula C14H9Cl2FN2O and a molecular weight of 311.14 g/mol. Its IUPAC name is (2S)-2-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-quinazolin-4-one
PubChem CID6976487
Molecular FormulaC14H9Cl2FN2O
Molecular Weight311.14 g/mol
Exact Mass310.01
IUPAC Name(2S)-2-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1N[C@@H](c2ccc(Cl)c(Cl)c2)Nc2cccc(F)c21
InChIInChI=1S/C14H9Cl2FN2O/c15-8-5-4-7(6-9(8)16)13-18-11-3-1-2-10(17)12(11)14(20)19-13/h1-6,13,18H,(H,19,20)/t13-/m0/s1
InChIKeyPVKKHXJOVRADCP-ZDUSSCGKSA-N
XLogP3.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of (2S)-2-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-quinazolin-4-one (CID 6976487) is (2S)-2-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for (2S)-2-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for (2S)-2-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-quinazolin-4-one is O=C1N[C@@H](c2ccc(Cl)c(Cl)c2)Nc2cccc(F)c21.
What is the InChIKey of (2S)-2-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is PVKKHXJOVRADCP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H9Cl2FN2O/c15-8-5-4-7(6-9(8)16)13-18-11-3-1-2-10(17)12(11)14(20)19-13/h1-6,13,18H,(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-2-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-quinazolin-4-one?
(2S)-2-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 311.14 g/mol, XLogP of 3.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 6976487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).