4-tert-butyl-5,6,7-trimethoxyquinazoline

C15H20N2O3 — CID 170974305

IUPAC4-tert-butyl-5,6,7-trimethoxyquinazoline
SMILESCOc1cc2ncnc(C(C)(C)C)c2c(OC)c1OC
InChIInChI=1S/C15H20N2O3/c1-15(2,3)14-11-9(16-8-17-14)7-10(18-4)12(19-5)13(11)20-6/h7-8H,1-6H3
InChIKeyHKROMXLREFRBFY-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.95
Rot. Bonds3

About 4-tert-butyl-5,6,7-trimethoxyquinazoline

4-tert-butyl-5,6,7-trimethoxyquinazoline (PubChem CID 170974305) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-tert-butyl-5,6,7-trimethoxyquinazoline.

Molecular Properties

Compound Name4-tert-butyl-5,6,7-trimethoxyquinazoline
PubChem CID170974305
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-tert-butyl-5,6,7-trimethoxyquinazoline
SMILESCOc1cc2ncnc(C(C)(C)C)c2c(OC)c1OC
InChIInChI=1S/C15H20N2O3/c1-15(2,3)14-11-9(16-8-17-14)7-10(18-4)12(19-5)13(11)20-6/h7-8H,1-6H3
InChIKeyHKROMXLREFRBFY-UHFFFAOYSA-N
XLogP2.95
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(E)-(4-tert-butylphenyl)methylideneamino]-5,6,7-trimethoxyquinazolin-4-amine
CID 71599039
5,6,7-trimethoxy-4-methylquinoline
CID 163584599
1-quinazolin-4-yl-1-(3,4,5-trimethoxyphenyl)ethanol
CID 118736449
5,6,7-trimethoxy-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinazoline
CID 71622474
1-tert-butyl-2,3,4,5-tetramethoxybenzene
CID 101460863
6,7-dimethoxy-4-methylquinazoline
CID 4319422
4,6,7-trimethoxy-5-piperidin-4-ylquinazoline
CID 90996911
5,6,7-trimethoxy-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]quinazoline
CID 71622340
6,7,8-trimethoxy-4-methylquinazoline
CID 70672853
5-methoxy-4,7-dimethylquinazoline
CID 176567252
ethane;5-methoxy-4,7-dimethylquinazoline
CID 176567251
6,7-dimethoxy-5-nitroquinazoline
CID 142974644

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5,6,7-trimethoxyquinazoline?
The IUPAC name of 4-tert-butyl-5,6,7-trimethoxyquinazoline (CID 170974305) is 4-tert-butyl-5,6,7-trimethoxyquinazoline.
What is the SMILES notation for 4-tert-butyl-5,6,7-trimethoxyquinazoline?
The canonical SMILES for 4-tert-butyl-5,6,7-trimethoxyquinazoline is COc1cc2ncnc(C(C)(C)C)c2c(OC)c1OC.
What is the InChIKey of 4-tert-butyl-5,6,7-trimethoxyquinazoline?
The InChIKey is HKROMXLREFRBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(2,3)14-11-9(16-8-17-14)7-10(18-4)12(19-5)13(11)20-6/h7-8H,1-6H3.
What are the key properties of 4-tert-butyl-5,6,7-trimethoxyquinazoline?
4-tert-butyl-5,6,7-trimethoxyquinazoline has a molecular weight of 276.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5,6,7-trimethoxyquinazoline is sourced from PubChem (CID 170974305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).