1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-methoxy-3,4-dihydroquinazolin-2-one

C21H14Cl2F2N2O2 — CID 22647899

IUPAC1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-methoxy-3,4-dihydroquinazolin-2-one
SMILESCOc1cc(-c2ccc(F)cc2F)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)NC2
InChIInChI=1S/C21H14Cl2F2N2O2/c1-29-12-8-14(13-6-5-11(24)7-18(13)25)15-10-26-21(28)27(19(15)9-12)20-16(22)3-2-4-17(20)23/h2-9H,10H2,1H3,(H,26,28)
InChIKeyFCDOVDMDLZRXCB-UHFFFAOYSA-N
MW435.26 g/mol
LogP6.31
Rot. Bonds3

About 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-methoxy-3,4-dihydroquinazolin-2-one

1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-methoxy-3,4-dihydroquinazolin-2-one (PubChem CID 22647899) has the molecular formula C21H14Cl2F2N2O2 and a molecular weight of 435.26 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-methoxy-3,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-methoxy-3,4-dihydroquinazolin-2-one
PubChem CID22647899
Molecular FormulaC21H14Cl2F2N2O2
Molecular Weight435.26 g/mol
Exact Mass434.04
IUPAC Name1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-methoxy-3,4-dihydroquinazolin-2-one
SMILESCOc1cc(-c2ccc(F)cc2F)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)NC2
InChIInChI=1S/C21H14Cl2F2N2O2/c1-29-12-8-14(13-6-5-11(24)7-18(13)25)15-10-26-21(28)27(19(15)9-12)20-16(22)3-2-4-17(20)23/h2-9H,10H2,1H3,(H,26,28)
InChIKeyFCDOVDMDLZRXCB-UHFFFAOYSA-N
XLogP6.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.26
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-methoxy-3,4-dihydroquinazolin-2-one?
The IUPAC name of 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-methoxy-3,4-dihydroquinazolin-2-one (CID 22647899) is 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-methoxy-3,4-dihydroquinazolin-2-one.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-methoxy-3,4-dihydroquinazolin-2-one?
The canonical SMILES for 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-methoxy-3,4-dihydroquinazolin-2-one is COc1cc(-c2ccc(F)cc2F)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)NC2.
What is the InChIKey of 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-methoxy-3,4-dihydroquinazolin-2-one?
The InChIKey is FCDOVDMDLZRXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2F2N2O2/c1-29-12-8-14(13-6-5-11(24)7-18(13)25)15-10-26-21(28)27(19(15)9-12)20-16(22)3-2-4-17(20)23/h2-9H,10H2,1H3,(H,26,28).
What are the key properties of 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-methoxy-3,4-dihydroquinazolin-2-one?
1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-methoxy-3,4-dihydroquinazolin-2-one has a molecular weight of 435.26 g/mol, XLogP of 6.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-methoxy-3,4-dihydroquinazolin-2-one is sourced from PubChem (CID 22647899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).