4-tert-butyl-8-methoxy-6-methyl-2-[(E)-2-pyridin-3-ylethenyl]quinazoline

C21H23N3O — CID 163807653

IUPAC4-tert-butyl-8-methoxy-6-methyl-2-[(E)-2-pyridin-3-ylethenyl]quinazoline
SMILESCOc1cc(C)cc2c(C(C)(C)C)nc(/C=C/c3cccnc3)nc12
InChIInChI=1S/C21H23N3O/c1-14-11-16-19(17(12-14)25-5)23-18(24-20(16)21(2,3)4)9-8-15-7-6-10-22-13-15/h6-13H,1-5H3/b9-8+
InChIKeyVSHGQGCVULNMOE-CMDGGOBGSA-N
MW333.44 g/mol
LogP4.81
Rot. Bonds3

About 4-tert-butyl-8-methoxy-6-methyl-2-[(E)-2-pyridin-3-ylethenyl]quinazoline

4-tert-butyl-8-methoxy-6-methyl-2-[(E)-2-pyridin-3-ylethenyl]quinazoline (PubChem CID 163807653) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-tert-butyl-8-methoxy-6-methyl-2-[(E)-2-pyridin-3-ylethenyl]quinazoline.

Molecular Properties

Compound Name4-tert-butyl-8-methoxy-6-methyl-2-[(E)-2-pyridin-3-ylethenyl]quinazoline
PubChem CID163807653
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name4-tert-butyl-8-methoxy-6-methyl-2-[(E)-2-pyridin-3-ylethenyl]quinazoline
SMILESCOc1cc(C)cc2c(C(C)(C)C)nc(/C=C/c3cccnc3)nc12
InChIInChI=1S/C21H23N3O/c1-14-11-16-19(17(12-14)25-5)23-18(24-20(16)21(2,3)4)9-8-15-7-6-10-22-13-15/h6-13H,1-5H3/b9-8+
InChIKeyVSHGQGCVULNMOE-CMDGGOBGSA-N
XLogP4.81
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-tert-butyl-8-methoxy-6-methyl-2-[(E)-2-pyridin-3-ylethenyl]quinazoline with MolForge

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Related Compounds

3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridine
CID 5388745
3-methyl-5-[(Z)-2-pyridin-3-ylethenyl]pyridine
CID 143613503
2-[1-[8-methoxy-2-(2-pyridin-3-ylethenyl)quinazolin-4-yl]piperidin-4-yl]ethylphosphonic acid
CID 175185991
3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine
CID 175663425
3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc
CID 175746701
3-[(Z)-2-pyridin-3-ylethenyl]phenol
CID 70505429
2-[2-[[6-hydroxy-7-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]amino]ethylamino]ethylphosphonic acid
CID 157041437
3-[(E)-2-(2-fluoro-3,5-dimethoxy-4-propan-2-ylphenyl)ethenyl]pyridine
CID 175586759
2,3,5,6-tetrakis[(E)-2-pyridin-3-ylethenyl]pyrazine
CID 19937846
4-N-[6-methyl-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine
CID 69240334
1-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)methanimine
CID 23761418
3-[(Z)-2-pyridin-3-ylethenyl]aniline
CID 101109294

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-8-methoxy-6-methyl-2-[(E)-2-pyridin-3-ylethenyl]quinazoline?
The IUPAC name of 4-tert-butyl-8-methoxy-6-methyl-2-[(E)-2-pyridin-3-ylethenyl]quinazoline (CID 163807653) is 4-tert-butyl-8-methoxy-6-methyl-2-[(E)-2-pyridin-3-ylethenyl]quinazoline.
What is the SMILES notation for 4-tert-butyl-8-methoxy-6-methyl-2-[(E)-2-pyridin-3-ylethenyl]quinazoline?
The canonical SMILES for 4-tert-butyl-8-methoxy-6-methyl-2-[(E)-2-pyridin-3-ylethenyl]quinazoline is COc1cc(C)cc2c(C(C)(C)C)nc(/C=C/c3cccnc3)nc12.
What is the InChIKey of 4-tert-butyl-8-methoxy-6-methyl-2-[(E)-2-pyridin-3-ylethenyl]quinazoline?
The InChIKey is VSHGQGCVULNMOE-CMDGGOBGSA-N. The full InChI is InChI=1S/C21H23N3O/c1-14-11-16-19(17(12-14)25-5)23-18(24-20(16)21(2,3)4)9-8-15-7-6-10-22-13-15/h6-13H,1-5H3/b9-8+.
What are the key properties of 4-tert-butyl-8-methoxy-6-methyl-2-[(E)-2-pyridin-3-ylethenyl]quinazoline?
4-tert-butyl-8-methoxy-6-methyl-2-[(E)-2-pyridin-3-ylethenyl]quinazoline has a molecular weight of 333.44 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-8-methoxy-6-methyl-2-[(E)-2-pyridin-3-ylethenyl]quinazoline is sourced from PubChem (CID 163807653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).