2-chloro-4-dibenzofuran-4-ylquinazoline

C20H11ClN2O — CID 89282885

IUPAC2-chloro-4-dibenzofuran-4-ylquinazoline
SMILESClc1nc(-c2cccc3c2oc2ccccc23)c2ccccc2n1
InChIInChI=1S/C20H11ClN2O/c21-20-22-16-10-3-1-7-14(16)18(23-20)15-9-5-8-13-12-6-2-4-11-17(12)24-19(13)15/h1-11H
InChIKeyNPTBJJGOWLXBAD-UHFFFAOYSA-N
MW330.77 g/mol
LogP5.85
Rot. Bonds1

About 2-chloro-4-dibenzofuran-4-ylquinazoline

2-chloro-4-dibenzofuran-4-ylquinazoline (PubChem CID 89282885) has the molecular formula C20H11ClN2O and a molecular weight of 330.77 g/mol. Its IUPAC name is 2-chloro-4-dibenzofuran-4-ylquinazoline.

Molecular Properties

Compound Name2-chloro-4-dibenzofuran-4-ylquinazoline
PubChem CID89282885
Molecular FormulaC20H11ClN2O
Molecular Weight330.77 g/mol
Exact Mass330.06
IUPAC Name2-chloro-4-dibenzofuran-4-ylquinazoline
SMILESClc1nc(-c2cccc3c2oc2ccccc23)c2ccccc2n1
InChIInChI=1S/C20H11ClN2O/c21-20-22-16-10-3-1-7-14(16)18(23-20)15-9-5-8-13-12-6-2-4-11-17(12)24-19(13)15/h1-11H
InChIKeyNPTBJJGOWLXBAD-UHFFFAOYSA-N
XLogP5.85
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.77
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-naphtho[1,2-b][1]benzofuran-5-ylquinazoline
CID 147143483
2-chloro-4-dibenzofuran-1-ylquinazoline
CID 126536609
2-chloro-6-dibenzofuran-4-yl-4-phenylquinazoline
CID 139327756
2-chloro-4-(3-dibenzofuran-4-ylphenyl)-6-phenylpyrimidine
CID 146489037
2,4-dichloro-6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 168908527
2,4-di(dibenzofuran-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 163620133
3-dibenzofuran-4-yl-2-methylbenzo[g]quinoxaline
CID 159945205
2-chloro-4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazine
CID 155758027
2-chloro-4-dibenzofuran-2-ylquinazoline;2-chloro-4-dibenzofuran-4-ylquinazoline;2-chloro-4-dibenzothiophen-2-ylquinazoline;2-chloro-4-dibenzothiophen-4-ylquinazoline;2-(2-chloroquinazolin-4-yl)-9-phenylcarbazole
CID 159375241
2-(3-chlorophenyl)-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazine
CID 169004283
(Z)-but-2-ene;2-[(E)-but-2-en-2-yl]-4-naphtho[1,2-b][1]benzofuran-4-ylquinazoline
CID 142619051
12-(4-naphtho[1,2-b][1]benzofuran-10-ylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 156564433

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-dibenzofuran-4-ylquinazoline?
The IUPAC name of 2-chloro-4-dibenzofuran-4-ylquinazoline (CID 89282885) is 2-chloro-4-dibenzofuran-4-ylquinazoline.
What is the SMILES notation for 2-chloro-4-dibenzofuran-4-ylquinazoline?
The canonical SMILES for 2-chloro-4-dibenzofuran-4-ylquinazoline is Clc1nc(-c2cccc3c2oc2ccccc23)c2ccccc2n1.
What is the InChIKey of 2-chloro-4-dibenzofuran-4-ylquinazoline?
The InChIKey is NPTBJJGOWLXBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClN2O/c21-20-22-16-10-3-1-7-14(16)18(23-20)15-9-5-8-13-12-6-2-4-11-17(12)24-19(13)15/h1-11H.
What are the key properties of 2-chloro-4-dibenzofuran-4-ylquinazoline?
2-chloro-4-dibenzofuran-4-ylquinazoline has a molecular weight of 330.77 g/mol, XLogP of 5.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-dibenzofuran-4-ylquinazoline is sourced from PubChem (CID 89282885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).