2-methyl-4-[7-[4-(4-methyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]dibenzofuran-2-yl]quinazoline

C35H23N7O — CID 134528565

IUPAC2-methyl-4-[7-[4-(4-methyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]dibenzofuran-2-yl]quinazoline
SMILESCc1nc(-c2ccncc2)nc(-c2ccnc(-c3ccc4c(c3)oc3ccc(-c5nc(C)nc6ccccc56)cc34)c2)n1
InChIInChI=1S/C35H23N7O/c1-20-38-29-6-4-3-5-27(29)33(39-20)24-8-10-31-28(17-24)26-9-7-23(19-32(26)43-31)30-18-25(13-16-37-30)35-41-21(2)40-34(42-35)22-11-14-36-15-12-22/h3-19H,1-2H3
InChIKeyKXWYDDAMGQPSOA-UHFFFAOYSA-N
MW557.62 g/mol
LogP7.79
Rot. Bonds4

About 2-methyl-4-[7-[4-(4-methyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]dibenzofuran-2-yl]quinazoline

2-methyl-4-[7-[4-(4-methyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]dibenzofuran-2-yl]quinazoline (PubChem CID 134528565) has the molecular formula C35H23N7O and a molecular weight of 557.62 g/mol. Its IUPAC name is 2-methyl-4-[7-[4-(4-methyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]dibenzofuran-2-yl]quinazoline.

Molecular Properties

Compound Name2-methyl-4-[7-[4-(4-methyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]dibenzofuran-2-yl]quinazoline
PubChem CID134528565
Molecular FormulaC35H23N7O
Molecular Weight557.62 g/mol
Exact Mass557.20
IUPAC Name2-methyl-4-[7-[4-(4-methyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]dibenzofuran-2-yl]quinazoline
SMILESCc1nc(-c2ccncc2)nc(-c2ccnc(-c3ccc4c(c3)oc3ccc(-c5nc(C)nc6ccccc56)cc34)c2)n1
InChIInChI=1S/C35H23N7O/c1-20-38-29-6-4-3-5-27(29)33(39-20)24-8-10-31-28(17-24)26-9-7-23(19-32(26)43-31)30-18-25(13-16-37-30)35-41-21(2)40-34(42-35)22-11-14-36-15-12-22/h3-19H,1-2H3
InChIKeyKXWYDDAMGQPSOA-UHFFFAOYSA-N
XLogP7.79
TPSA103.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.62
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[7-[4-(4-methyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]dibenzofuran-2-yl]quinazoline?
The IUPAC name of 2-methyl-4-[7-[4-(4-methyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]dibenzofuran-2-yl]quinazoline (CID 134528565) is 2-methyl-4-[7-[4-(4-methyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]dibenzofuran-2-yl]quinazoline.
What is the SMILES notation for 2-methyl-4-[7-[4-(4-methyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]dibenzofuran-2-yl]quinazoline?
The canonical SMILES for 2-methyl-4-[7-[4-(4-methyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]dibenzofuran-2-yl]quinazoline is Cc1nc(-c2ccncc2)nc(-c2ccnc(-c3ccc4c(c3)oc3ccc(-c5nc(C)nc6ccccc56)cc34)c2)n1.
What is the InChIKey of 2-methyl-4-[7-[4-(4-methyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]dibenzofuran-2-yl]quinazoline?
The InChIKey is KXWYDDAMGQPSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N7O/c1-20-38-29-6-4-3-5-27(29)33(39-20)24-8-10-31-28(17-24)26-9-7-23(19-32(26)43-31)30-18-25(13-16-37-30)35-41-21(2)40-34(42-35)22-11-14-36-15-12-22/h3-19H,1-2H3.
What are the key properties of 2-methyl-4-[7-[4-(4-methyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]dibenzofuran-2-yl]quinazoline?
2-methyl-4-[7-[4-(4-methyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]dibenzofuran-2-yl]quinazoline has a molecular weight of 557.62 g/mol, XLogP of 7.79, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[7-[4-(4-methyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]dibenzofuran-2-yl]quinazoline is sourced from PubChem (CID 134528565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).