6-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-2-methylquinazoline

C19H19ClN2O2 — CID 142295606

IUPAC6-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-2-methylquinazoline
SMILESCCc1c(OC)cc(OC)c(Cl)c1-c1ccc2nc(C)ncc2c1
InChIInChI=1S/C19H19ClN2O2/c1-5-14-16(23-3)9-17(24-4)19(20)18(14)12-6-7-15-13(8-12)10-21-11(2)22-15/h6-10H,5H2,1-4H3
InChIKeyULGHCITXQXAIDS-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.84
Rot. Bonds4

About 6-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-2-methylquinazoline

6-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-2-methylquinazoline (PubChem CID 142295606) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 6-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-2-methylquinazoline.

Molecular Properties

Compound Name6-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-2-methylquinazoline
PubChem CID142295606
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name6-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-2-methylquinazoline
SMILESCCc1c(OC)cc(OC)c(Cl)c1-c1ccc2nc(C)ncc2c1
InChIInChI=1S/C19H19ClN2O2/c1-5-14-16(23-3)9-17(24-4)19(20)18(14)12-6-7-15-13(8-12)10-21-11(2)22-15/h6-10H,5H2,1-4H3
InChIKeyULGHCITXQXAIDS-UHFFFAOYSA-N
XLogP4.84
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-2-methylquinazoline?
The IUPAC name of 6-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-2-methylquinazoline (CID 142295606) is 6-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-2-methylquinazoline.
What is the SMILES notation for 6-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-2-methylquinazoline?
The canonical SMILES for 6-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-2-methylquinazoline is CCc1c(OC)cc(OC)c(Cl)c1-c1ccc2nc(C)ncc2c1.
What is the InChIKey of 6-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-2-methylquinazoline?
The InChIKey is ULGHCITXQXAIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-5-14-16(23-3)9-17(24-4)19(20)18(14)12-6-7-15-13(8-12)10-21-11(2)22-15/h6-10H,5H2,1-4H3.
What are the key properties of 6-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-2-methylquinazoline?
6-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-2-methylquinazoline has a molecular weight of 342.83 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-2-methylquinazoline is sourced from PubChem (CID 142295606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).