2-chloro-4,5,6,7,8-pentamethylquinazoline

C13H15ClN2 — CID 59892833

IUPAC2-chloro-4,5,6,7,8-pentamethylquinazoline
SMILESCc1c(C)c(C)c2c(C)nc(Cl)nc2c1C
InChIInChI=1S/C13H15ClN2/c1-6-7(2)9(4)12-11(8(6)3)10(5)15-13(14)16-12/h1-5H3
InChIKeyKCTQLXWVGFYFEE-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.83
Rot. Bonds

About 2-chloro-4,5,6,7,8-pentamethylquinazoline

2-chloro-4,5,6,7,8-pentamethylquinazoline (PubChem CID 59892833) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 2-chloro-4,5,6,7,8-pentamethylquinazoline.

Molecular Properties

Compound Name2-chloro-4,5,6,7,8-pentamethylquinazoline
PubChem CID59892833
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name2-chloro-4,5,6,7,8-pentamethylquinazoline
SMILESCc1c(C)c(C)c2c(C)nc(Cl)nc2c1C
InChIInChI=1S/C13H15ClN2/c1-6-7(2)9(4)12-11(8(6)3)10(5)15-13(14)16-12/h1-5H3
InChIKeyKCTQLXWVGFYFEE-UHFFFAOYSA-N
XLogP3.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tetrakis(2,4,5,6,7,8-hexamethylquinazoline);2,4,6-trimethyl-1,3,5-triazine
CID 159228975
hexakis(2,4,5,6,7,8-hexamethylquinazoline);2,4,6-trimethyl-1,3,5-triazine
CID 159474049
2-chloro-4,5,6-trimethylpyrimidine
CID 12501987
2,4-dichloro-5,6-dimethylpyrimidine
CID 156777151
2-chloro-5-fluoro-4,8-dimethylquinazoline
CID 130051303
2-(4,5,6,7,8-pentamethylquinazolin-2-yl)oxyethanol
CID 54034458
2-chloro-4,5-dimethyl-6-methylsulfanylpyrimidine
CID 88589832
2-chloro-N,5,6-trimethylpyrimidin-4-amine
CID 82460587
2,5,6,7,8-pentamethyl-3,1-benzoxazin-4-one
CID 18684750
1,2,3,4,5,6,7,8-octamethylnaphthalene;2,4,5,6-tetramethylpyrimidine
CID 91135840
3-chloro-5,6-dimethyl-1,2,4-triazine
CID 45076266
2,7-dichloro-8-fluoro-4-methylpyrido[4,3-d]pyrimidine
CID 167120223

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5,6,7,8-pentamethylquinazoline?
The IUPAC name of 2-chloro-4,5,6,7,8-pentamethylquinazoline (CID 59892833) is 2-chloro-4,5,6,7,8-pentamethylquinazoline.
What is the SMILES notation for 2-chloro-4,5,6,7,8-pentamethylquinazoline?
The canonical SMILES for 2-chloro-4,5,6,7,8-pentamethylquinazoline is Cc1c(C)c(C)c2c(C)nc(Cl)nc2c1C.
What is the InChIKey of 2-chloro-4,5,6,7,8-pentamethylquinazoline?
The InChIKey is KCTQLXWVGFYFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-6-7(2)9(4)12-11(8(6)3)10(5)15-13(14)16-12/h1-5H3.
What are the key properties of 2-chloro-4,5,6,7,8-pentamethylquinazoline?
2-chloro-4,5,6,7,8-pentamethylquinazoline has a molecular weight of 234.73 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5,6,7,8-pentamethylquinazoline is sourced from PubChem (CID 59892833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).