4-(3-methoxyphenyl)-8,8-dimethyl-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-quinazoline

C23H25N3O — CID 71276555

IUPAC4-(3-methoxyphenyl)-8,8-dimethyl-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-quinazoline
SMILESCOc1cccc(-c2nc(-c3cccc(C)n3)nc3c2CCCC3(C)C)c1
InChIInChI=1S/C23H25N3O/c1-15-8-5-12-19(24-15)22-25-20(16-9-6-10-17(14-16)27-4)18-11-7-13-23(2,3)21(18)26-22/h5-6,8-10,12,14H,7,11,13H2,1-4H3
InChIKeyYHROMHAFZYJVRH-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.14
Rot. Bonds3

About 4-(3-methoxyphenyl)-8,8-dimethyl-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-quinazoline

4-(3-methoxyphenyl)-8,8-dimethyl-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-quinazoline (PubChem CID 71276555) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-8,8-dimethyl-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-quinazoline.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-8,8-dimethyl-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-quinazoline
PubChem CID71276555
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name4-(3-methoxyphenyl)-8,8-dimethyl-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-quinazoline
SMILESCOc1cccc(-c2nc(-c3cccc(C)n3)nc3c2CCCC3(C)C)c1
InChIInChI=1S/C23H25N3O/c1-15-8-5-12-19(24-15)22-25-20(16-9-6-10-17(14-16)27-4)18-11-7-13-23(2,3)21(18)26-22/h5-6,8-10,12,14H,7,11,13H2,1-4H3
InChIKeyYHROMHAFZYJVRH-UHFFFAOYSA-N
XLogP5.14
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-8,8-dimethyl-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-quinazoline?
The IUPAC name of 4-(3-methoxyphenyl)-8,8-dimethyl-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-quinazoline (CID 71276555) is 4-(3-methoxyphenyl)-8,8-dimethyl-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-quinazoline.
What is the SMILES notation for 4-(3-methoxyphenyl)-8,8-dimethyl-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-quinazoline?
The canonical SMILES for 4-(3-methoxyphenyl)-8,8-dimethyl-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-quinazoline is COc1cccc(-c2nc(-c3cccc(C)n3)nc3c2CCCC3(C)C)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-8,8-dimethyl-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-quinazoline?
The InChIKey is YHROMHAFZYJVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-15-8-5-12-19(24-15)22-25-20(16-9-6-10-17(14-16)27-4)18-11-7-13-23(2,3)21(18)26-22/h5-6,8-10,12,14H,7,11,13H2,1-4H3.
What are the key properties of 4-(3-methoxyphenyl)-8,8-dimethyl-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-quinazoline?
4-(3-methoxyphenyl)-8,8-dimethyl-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-quinazoline has a molecular weight of 359.47 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-8,8-dimethyl-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-quinazoline is sourced from PubChem (CID 71276555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).