2-(2-chloro-6-fluorophenyl)-5-methyl-2,3-dihydro-1H-quinazolin-4-one;ethane

C17H18ClFN2O — CID 164880747

IUPAC2-(2-chloro-6-fluorophenyl)-5-methyl-2,3-dihydro-1H-quinazolin-4-one;ethane
SMILESCC.Cc1cccc2c1C(=O)NC(c1c(F)cccc1Cl)N2
InChIInChI=1S/C15H12ClFN2O.C2H6/c1-8-4-2-7-11-12(8)15(20)19-14(18-11)13-9(16)5-3-6-10(13)17;1-2/h2-7,14,18H,1H3,(H,19,20);1-2H3
InChIKeyNKGYIZZLQNVZFQ-UHFFFAOYSA-N
MW320.80 g/mol
LogP4.67
Rot. Bonds1

About 2-(2-chloro-6-fluorophenyl)-5-methyl-2,3-dihydro-1H-quinazolin-4-one;ethane

2-(2-chloro-6-fluorophenyl)-5-methyl-2,3-dihydro-1H-quinazolin-4-one;ethane (PubChem CID 164880747) has the molecular formula C17H18ClFN2O and a molecular weight of 320.80 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-5-methyl-2,3-dihydro-1H-quinazolin-4-one;ethane.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-5-methyl-2,3-dihydro-1H-quinazolin-4-one;ethane
PubChem CID164880747
Molecular FormulaC17H18ClFN2O
Molecular Weight320.80 g/mol
Exact Mass320.11
IUPAC Name2-(2-chloro-6-fluorophenyl)-5-methyl-2,3-dihydro-1H-quinazolin-4-one;ethane
SMILESCC.Cc1cccc2c1C(=O)NC(c1c(F)cccc1Cl)N2
InChIInChI=1S/C15H12ClFN2O.C2H6/c1-8-4-2-7-11-12(8)15(20)19-14(18-11)13-9(16)5-3-6-10(13)17;1-2/h2-7,14,18H,1H3,(H,19,20);1-2H3
InChIKeyNKGYIZZLQNVZFQ-UHFFFAOYSA-N
XLogP4.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-5-methyl-2,3-dihydro-1H-quinazolin-4-one;ethane?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-5-methyl-2,3-dihydro-1H-quinazolin-4-one;ethane (CID 164880747) is 2-(2-chloro-6-fluorophenyl)-5-methyl-2,3-dihydro-1H-quinazolin-4-one;ethane.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-5-methyl-2,3-dihydro-1H-quinazolin-4-one;ethane?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-5-methyl-2,3-dihydro-1H-quinazolin-4-one;ethane is CC.Cc1cccc2c1C(=O)NC(c1c(F)cccc1Cl)N2.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-5-methyl-2,3-dihydro-1H-quinazolin-4-one;ethane?
The InChIKey is NKGYIZZLQNVZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O.C2H6/c1-8-4-2-7-11-12(8)15(20)19-14(18-11)13-9(16)5-3-6-10(13)17;1-2/h2-7,14,18H,1H3,(H,19,20);1-2H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-5-methyl-2,3-dihydro-1H-quinazolin-4-one;ethane?
2-(2-chloro-6-fluorophenyl)-5-methyl-2,3-dihydro-1H-quinazolin-4-one;ethane has a molecular weight of 320.80 g/mol, XLogP of 4.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-5-methyl-2,3-dihydro-1H-quinazolin-4-one;ethane is sourced from PubChem (CID 164880747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).