3-(2-chlorophenyl)-2-[2-[6-(diethylamino)-2-methyl-1H-pyridin-2-yl]ethenyl]-6-fluoroquinazolin-4-one

C26H26ClFN4O — CID 151413060

IUPAC3-(2-chlorophenyl)-2-[2-[6-(diethylamino)-2-methyl-1H-pyridin-2-yl]ethenyl]-6-fluoroquinazolin-4-one
SMILESCCN(CC)C1=CC=CC(C)(C=Cc2nc3ccc(F)cc3c(=O)n2-c2ccccc2Cl)N1
InChIInChI=1S/C26H26ClFN4O/c1-4-31(5-2)24-11-8-15-26(3,30-24)16-14-23-29-21-13-12-18(28)17-19(21)25(33)32(23)22-10-7-6-9-20(22)27/h6-17,30H,4-5H2,1-3H3
InChIKeyOYXTTYLVVSGXJC-UHFFFAOYSA-N
MW464.97 g/mol
LogP5.29
Rot. Bonds6

About 3-(2-chlorophenyl)-2-[2-[6-(diethylamino)-2-methyl-1H-pyridin-2-yl]ethenyl]-6-fluoroquinazolin-4-one

3-(2-chlorophenyl)-2-[2-[6-(diethylamino)-2-methyl-1H-pyridin-2-yl]ethenyl]-6-fluoroquinazolin-4-one (PubChem CID 151413060) has the molecular formula C26H26ClFN4O and a molecular weight of 464.97 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-2-[2-[6-(diethylamino)-2-methyl-1H-pyridin-2-yl]ethenyl]-6-fluoroquinazolin-4-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-2-[2-[6-(diethylamino)-2-methyl-1H-pyridin-2-yl]ethenyl]-6-fluoroquinazolin-4-one
PubChem CID151413060
Molecular FormulaC26H26ClFN4O
Molecular Weight464.97 g/mol
Exact Mass464.18
IUPAC Name3-(2-chlorophenyl)-2-[2-[6-(diethylamino)-2-methyl-1H-pyridin-2-yl]ethenyl]-6-fluoroquinazolin-4-one
SMILESCCN(CC)C1=CC=CC(C)(C=Cc2nc3ccc(F)cc3c(=O)n2-c2ccccc2Cl)N1
InChIInChI=1S/C26H26ClFN4O/c1-4-31(5-2)24-11-8-15-26(3,30-24)16-14-23-29-21-13-12-18(28)17-19(21)25(33)32(23)22-10-7-6-9-20(22)27/h6-17,30H,4-5H2,1-3H3
InChIKeyOYXTTYLVVSGXJC-UHFFFAOYSA-N
XLogP5.29
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.97
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-2-[2-[6-(diethylamino)-2-methyl-1H-pyridin-2-yl]ethenyl]-6-fluoroquinazolin-4-one?
The IUPAC name of 3-(2-chlorophenyl)-2-[2-[6-(diethylamino)-2-methyl-1H-pyridin-2-yl]ethenyl]-6-fluoroquinazolin-4-one (CID 151413060) is 3-(2-chlorophenyl)-2-[2-[6-(diethylamino)-2-methyl-1H-pyridin-2-yl]ethenyl]-6-fluoroquinazolin-4-one.
What is the SMILES notation for 3-(2-chlorophenyl)-2-[2-[6-(diethylamino)-2-methyl-1H-pyridin-2-yl]ethenyl]-6-fluoroquinazolin-4-one?
The canonical SMILES for 3-(2-chlorophenyl)-2-[2-[6-(diethylamino)-2-methyl-1H-pyridin-2-yl]ethenyl]-6-fluoroquinazolin-4-one is CCN(CC)C1=CC=CC(C)(C=Cc2nc3ccc(F)cc3c(=O)n2-c2ccccc2Cl)N1.
What is the InChIKey of 3-(2-chlorophenyl)-2-[2-[6-(diethylamino)-2-methyl-1H-pyridin-2-yl]ethenyl]-6-fluoroquinazolin-4-one?
The InChIKey is OYXTTYLVVSGXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClFN4O/c1-4-31(5-2)24-11-8-15-26(3,30-24)16-14-23-29-21-13-12-18(28)17-19(21)25(33)32(23)22-10-7-6-9-20(22)27/h6-17,30H,4-5H2,1-3H3.
What are the key properties of 3-(2-chlorophenyl)-2-[2-[6-(diethylamino)-2-methyl-1H-pyridin-2-yl]ethenyl]-6-fluoroquinazolin-4-one?
3-(2-chlorophenyl)-2-[2-[6-(diethylamino)-2-methyl-1H-pyridin-2-yl]ethenyl]-6-fluoroquinazolin-4-one has a molecular weight of 464.97 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-2-[2-[6-(diethylamino)-2-methyl-1H-pyridin-2-yl]ethenyl]-6-fluoroquinazolin-4-one is sourced from PubChem (CID 151413060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).