6,6-dimethyl-2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-5H-quinazoline

C22H23N3 — CID 71271580

IUPAC6,6-dimethyl-2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-5H-quinazoline
SMILESCc1cccc(-c2nc3c(c(-c4ccccc4)n2)CC(C)(C)CC3)n1
InChIInChI=1S/C22H23N3/c1-15-8-7-11-19(23-15)21-24-18-12-13-22(2,3)14-17(18)20(25-21)16-9-5-4-6-10-16/h4-11H,12-14H2,1-3H3
InChIKeyIVUAIABDAZIIDF-UHFFFAOYSA-N
MW329.45 g/mol
LogP5.03
Rot. Bonds2

About 6,6-dimethyl-2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-5H-quinazoline

6,6-dimethyl-2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-5H-quinazoline (PubChem CID 71271580) has the molecular formula C22H23N3 and a molecular weight of 329.45 g/mol. Its IUPAC name is 6,6-dimethyl-2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-5H-quinazoline.

Molecular Properties

Compound Name6,6-dimethyl-2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-5H-quinazoline
PubChem CID71271580
Molecular FormulaC22H23N3
Molecular Weight329.45 g/mol
Exact Mass329.19
IUPAC Name6,6-dimethyl-2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-5H-quinazoline
SMILESCc1cccc(-c2nc3c(c(-c4ccccc4)n2)CC(C)(C)CC3)n1
InChIInChI=1S/C22H23N3/c1-15-8-7-11-19(23-15)21-24-18-12-13-22(2,3)14-17(18)20(25-21)16-9-5-4-6-10-16/h4-11H,12-14H2,1-3H3
InChIKeyIVUAIABDAZIIDF-UHFFFAOYSA-N
XLogP5.03
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.45
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-5H-quinazoline?
The IUPAC name of 6,6-dimethyl-2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-5H-quinazoline (CID 71271580) is 6,6-dimethyl-2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-5H-quinazoline.
What is the SMILES notation for 6,6-dimethyl-2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-5H-quinazoline?
The canonical SMILES for 6,6-dimethyl-2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-5H-quinazoline is Cc1cccc(-c2nc3c(c(-c4ccccc4)n2)CC(C)(C)CC3)n1.
What is the InChIKey of 6,6-dimethyl-2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-5H-quinazoline?
The InChIKey is IVUAIABDAZIIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3/c1-15-8-7-11-19(23-15)21-24-18-12-13-22(2,3)14-17(18)20(25-21)16-9-5-4-6-10-16/h4-11H,12-14H2,1-3H3.
What are the key properties of 6,6-dimethyl-2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-5H-quinazoline?
6,6-dimethyl-2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-5H-quinazoline has a molecular weight of 329.45 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-(6-methyl-2-pyridinyl)-4-phenyl-7,8-dihydro-5H-quinazoline is sourced from PubChem (CID 71271580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).