2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5-fluoroquinazoline

C16H10Cl3FN2O2 — CID 118036511

IUPAC2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5-fluoroquinazoline
SMILESCOc1cc(OC)c(Cl)c(-c2ccc3nc(Cl)ncc3c2F)c1Cl
InChIInChI=1S/C16H10Cl3FN2O2/c1-23-10-5-11(24-2)14(18)12(13(10)17)7-3-4-9-8(15(7)20)6-21-16(19)22-9/h3-6H,1-2H3
InChIKeyCLVLUGVYIGJVSC-UHFFFAOYSA-N
MW387.63 g/mol
LogP5.41
Rot. Bonds3

About 2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5-fluoroquinazoline

2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5-fluoroquinazoline (PubChem CID 118036511) has the molecular formula C16H10Cl3FN2O2 and a molecular weight of 387.63 g/mol. Its IUPAC name is 2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5-fluoroquinazoline.

Molecular Properties

Compound Name2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5-fluoroquinazoline
PubChem CID118036511
Molecular FormulaC16H10Cl3FN2O2
Molecular Weight387.63 g/mol
Exact Mass385.98
IUPAC Name2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5-fluoroquinazoline
SMILESCOc1cc(OC)c(Cl)c(-c2ccc3nc(Cl)ncc3c2F)c1Cl
InChIInChI=1S/C16H10Cl3FN2O2/c1-23-10-5-11(24-2)14(18)12(13(10)17)7-3-4-9-8(15(7)20)6-21-16(19)22-9/h3-6H,1-2H3
InChIKeyCLVLUGVYIGJVSC-UHFFFAOYSA-N
XLogP5.41
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.63
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5-fluoroquinazoline?
The IUPAC name of 2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5-fluoroquinazoline (CID 118036511) is 2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5-fluoroquinazoline.
What is the SMILES notation for 2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5-fluoroquinazoline?
The canonical SMILES for 2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5-fluoroquinazoline is COc1cc(OC)c(Cl)c(-c2ccc3nc(Cl)ncc3c2F)c1Cl.
What is the InChIKey of 2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5-fluoroquinazoline?
The InChIKey is CLVLUGVYIGJVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl3FN2O2/c1-23-10-5-11(24-2)14(18)12(13(10)17)7-3-4-9-8(15(7)20)6-21-16(19)22-9/h3-6H,1-2H3.
What are the key properties of 2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5-fluoroquinazoline?
2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5-fluoroquinazoline has a molecular weight of 387.63 g/mol, XLogP of 5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5-fluoroquinazoline is sourced from PubChem (CID 118036511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).