4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-pyridin-3-ylquinazoline

C23H19N3O2 — CID 2535195

IUPAC4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-pyridin-3-ylquinazoline
SMILESCC1(C)Cc2cccc(Oc3nc(-c4cccnc4)nc4ccccc34)c2O1
InChIInChI=1S/C23H19N3O2/c1-23(2)13-15-7-5-11-19(20(15)28-23)27-22-17-9-3-4-10-18(17)25-21(26-22)16-8-6-12-24-14-16/h3-12,14H,13H2,1-2H3
InChIKeyPNIYMOPGCHZMSL-UHFFFAOYSA-N
MW369.42 g/mol
LogP5.20
Rot. Bonds3

About 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-pyridin-3-ylquinazoline

4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-pyridin-3-ylquinazoline (PubChem CID 2535195) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-pyridin-3-ylquinazoline.

Molecular Properties

Compound Name4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-pyridin-3-ylquinazoline
PubChem CID2535195
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-pyridin-3-ylquinazoline
SMILESCC1(C)Cc2cccc(Oc3nc(-c4cccnc4)nc4ccccc34)c2O1
InChIInChI=1S/C23H19N3O2/c1-23(2)13-15-7-5-11-19(20(15)28-23)27-22-17-9-3-4-10-18(17)25-21(26-22)16-8-6-12-24-14-16/h3-12,14H,13H2,1-2H3
InChIKeyPNIYMOPGCHZMSL-UHFFFAOYSA-N
XLogP5.20
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-pyridin-3-ylquinazoline with MolForge

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Related Compounds

2-pyridin-3-yl-4-pyridin-3-yloxyquinazoline
CID 4793706
2-pyridin-3-yl-4-(2,3,5,6-tetrafluorophenoxy)quinazoline
CID 9106981
4-phenoxy-2-pyridin-3-ylquinazolin-6-ol
CID 71274335
4-[(2-bromo-3-pyridinyl)oxy]-2-pyridin-4-ylquinazoline
CID 71887379
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]benzoic acid
CID 63942868
6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine-3-carboxylic acid
CID 16789396
1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-pyridinyl]-N-methylmethanamine
CID 62297979
2-(7-methyl-2-pyridin-3-ylquinazolin-4-yl)oxybenzamide;molecular hydrogen
CID 144500825
N-methyl-2-pyridin-3-ylquinazolin-4-amine;propane
CID 142952952
[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridazin-3-yl]methanamine
CID 62298154
N-(3-methoxyoxan-4-yl)-2-pyridin-3-ylquinazolin-4-amine
CID 166210438
2,2-dimethyl-7-prop-2-enoxy-3H-1-benzofuran
CID 54215280

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-pyridin-3-ylquinazoline?
The IUPAC name of 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-pyridin-3-ylquinazoline (CID 2535195) is 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-pyridin-3-ylquinazoline.
What is the SMILES notation for 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-pyridin-3-ylquinazoline?
The canonical SMILES for 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-pyridin-3-ylquinazoline is CC1(C)Cc2cccc(Oc3nc(-c4cccnc4)nc4ccccc34)c2O1.
What is the InChIKey of 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-pyridin-3-ylquinazoline?
The InChIKey is PNIYMOPGCHZMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-23(2)13-15-7-5-11-19(20(15)28-23)27-22-17-9-3-4-10-18(17)25-21(26-22)16-8-6-12-24-14-16/h3-12,14H,13H2,1-2H3.
What are the key properties of 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-pyridin-3-ylquinazoline?
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-pyridin-3-ylquinazoline has a molecular weight of 369.42 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-pyridin-3-ylquinazoline is sourced from PubChem (CID 2535195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).