4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(6-methyl-2-pyridinyl)quinazoline

C23H19N3O2 — CID 67702021

IUPAC4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(6-methyl-2-pyridinyl)quinazoline
SMILESCc1cccc(-c2nc(-c3ccc4c(c3)OCCCO4)c3ccccc3n2)n1
InChIInChI=1S/C23H19N3O2/c1-15-6-4-9-19(24-15)23-25-18-8-3-2-7-17(18)22(26-23)16-10-11-20-21(14-16)28-13-5-12-27-20/h2-4,6-11,14H,5,12-13H2,1H3
InChIKeyHTEAMZJKZSTILQ-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.83
Rot. Bonds2

About 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(6-methyl-2-pyridinyl)quinazoline

4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(6-methyl-2-pyridinyl)quinazoline (PubChem CID 67702021) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(6-methyl-2-pyridinyl)quinazoline.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(6-methyl-2-pyridinyl)quinazoline
PubChem CID67702021
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(6-methyl-2-pyridinyl)quinazoline
SMILESCc1cccc(-c2nc(-c3ccc4c(c3)OCCCO4)c3ccccc3n2)n1
InChIInChI=1S/C23H19N3O2/c1-15-6-4-9-19(24-15)23-25-18-8-3-2-7-17(18)22(26-23)16-10-11-20-21(14-16)28-13-5-12-27-20/h2-4,6-11,14H,5,12-13H2,1H3
InChIKeyHTEAMZJKZSTILQ-UHFFFAOYSA-N
XLogP4.83
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(6-methyl-2-pyridinyl)quinazoline?
The IUPAC name of 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(6-methyl-2-pyridinyl)quinazoline (CID 67702021) is 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(6-methyl-2-pyridinyl)quinazoline.
What is the SMILES notation for 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(6-methyl-2-pyridinyl)quinazoline?
The canonical SMILES for 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(6-methyl-2-pyridinyl)quinazoline is Cc1cccc(-c2nc(-c3ccc4c(c3)OCCCO4)c3ccccc3n2)n1.
What is the InChIKey of 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(6-methyl-2-pyridinyl)quinazoline?
The InChIKey is HTEAMZJKZSTILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-15-6-4-9-19(24-15)23-25-18-8-3-2-7-17(18)22(26-23)16-10-11-20-21(14-16)28-13-5-12-27-20/h2-4,6-11,14H,5,12-13H2,1H3.
What are the key properties of 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(6-methyl-2-pyridinyl)quinazoline?
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(6-methyl-2-pyridinyl)quinazoline has a molecular weight of 369.42 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(6-methyl-2-pyridinyl)quinazoline is sourced from PubChem (CID 67702021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).