6-chloro-3-ethyl-2-methyl-4-phenyl-4H-quinazoline

C17H17ClN2 — CID 54757804

IUPAC6-chloro-3-ethyl-2-methyl-4-phenyl-4H-quinazoline
SMILESCCN1C(C)=Nc2ccc(Cl)cc2C1c1ccccc1
InChIInChI=1S/C17H17ClN2/c1-3-20-12(2)19-16-10-9-14(18)11-15(16)17(20)13-7-5-4-6-8-13/h4-11,17H,3H2,1-2H3
InChIKeyRXHBKWUENATLEX-UHFFFAOYSA-N
MW284.79 g/mol
LogP4.81
Rot. Bonds2

About 6-chloro-3-ethyl-2-methyl-4-phenyl-4H-quinazoline

6-chloro-3-ethyl-2-methyl-4-phenyl-4H-quinazoline (PubChem CID 54757804) has the molecular formula C17H17ClN2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 6-chloro-3-ethyl-2-methyl-4-phenyl-4H-quinazoline.

Molecular Properties

Compound Name6-chloro-3-ethyl-2-methyl-4-phenyl-4H-quinazoline
PubChem CID54757804
Molecular FormulaC17H17ClN2
Molecular Weight284.79 g/mol
Exact Mass284.11
IUPAC Name6-chloro-3-ethyl-2-methyl-4-phenyl-4H-quinazoline
SMILESCCN1C(C)=Nc2ccc(Cl)cc2C1c1ccccc1
InChIInChI=1S/C17H17ClN2/c1-3-20-12(2)19-16-10-9-14(18)11-15(16)17(20)13-7-5-4-6-8-13/h4-11,17H,3H2,1-2H3
InChIKeyRXHBKWUENATLEX-UHFFFAOYSA-N
XLogP4.81
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-ethyl-2-methyl-4-phenyl-4H-quinazoline?
The IUPAC name of 6-chloro-3-ethyl-2-methyl-4-phenyl-4H-quinazoline (CID 54757804) is 6-chloro-3-ethyl-2-methyl-4-phenyl-4H-quinazoline.
What is the SMILES notation for 6-chloro-3-ethyl-2-methyl-4-phenyl-4H-quinazoline?
The canonical SMILES for 6-chloro-3-ethyl-2-methyl-4-phenyl-4H-quinazoline is CCN1C(C)=Nc2ccc(Cl)cc2C1c1ccccc1.
What is the InChIKey of 6-chloro-3-ethyl-2-methyl-4-phenyl-4H-quinazoline?
The InChIKey is RXHBKWUENATLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2/c1-3-20-12(2)19-16-10-9-14(18)11-15(16)17(20)13-7-5-4-6-8-13/h4-11,17H,3H2,1-2H3.
What are the key properties of 6-chloro-3-ethyl-2-methyl-4-phenyl-4H-quinazoline?
6-chloro-3-ethyl-2-methyl-4-phenyl-4H-quinazoline has a molecular weight of 284.79 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-ethyl-2-methyl-4-phenyl-4H-quinazoline is sourced from PubChem (CID 54757804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).