3-chloro-1-dibenzofuran-2-ylbenzo[f]quinazoline

C24H13ClN2O — CID 126738166

IUPAC3-chloro-1-dibenzofuran-2-ylbenzo[f]quinazoline
SMILESClc1nc(-c2ccc3oc4ccccc4c3c2)c2c(ccc3ccccc32)n1
InChIInChI=1S/C24H13ClN2O/c25-24-26-19-11-9-14-5-1-2-6-16(14)22(19)23(27-24)15-10-12-21-18(13-15)17-7-3-4-8-20(17)28-21/h1-13H
InChIKeyXRZCMECXFGIUGF-UHFFFAOYSA-N
MW380.83 g/mol
LogP7.00
Rot. Bonds1

About 3-chloro-1-dibenzofuran-2-ylbenzo[f]quinazoline

3-chloro-1-dibenzofuran-2-ylbenzo[f]quinazoline (PubChem CID 126738166) has the molecular formula C24H13ClN2O and a molecular weight of 380.83 g/mol. Its IUPAC name is 3-chloro-1-dibenzofuran-2-ylbenzo[f]quinazoline.

Molecular Properties

Compound Name3-chloro-1-dibenzofuran-2-ylbenzo[f]quinazoline
PubChem CID126738166
Molecular FormulaC24H13ClN2O
Molecular Weight380.83 g/mol
Exact Mass380.07
IUPAC Name3-chloro-1-dibenzofuran-2-ylbenzo[f]quinazoline
SMILESClc1nc(-c2ccc3oc4ccccc4c3c2)c2c(ccc3ccccc32)n1
InChIInChI=1S/C24H13ClN2O/c25-24-26-19-11-9-14-5-1-2-6-16(14)22(19)23(27-24)15-10-12-21-18(13-15)17-7-3-4-8-20(17)28-21/h1-13H
InChIKeyXRZCMECXFGIUGF-UHFFFAOYSA-N
XLogP7.00
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.83
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-chloro-1-dibenzofuran-2-ylbenzo[f]quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-naphtho[2,3-b][1]benzofuran-9-yl-1-phenylbenzo[f]quinazoline
CID 155474012
3-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-5-yl)-1-phenylbenzo[f]quinazoline
CID 167698842
12-(4-dibenzofuran-2-ylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 129149691
2-chloro-4-dibenzofuran-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 171439501
5-dibenzofuran-2-yl-9-(1-phenylbenzo[f]quinazolin-3-yl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
CID 134301057
5-dibenzofuran-2-yl-9-[1-(4-phenylphenyl)benzo[f]quinazolin-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
CID 134301058
2,4-di(chrysen-3-yl)-6-dibenzofuran-2-yl-1,3,5-triazine
CID 158404878
2-chloro-6-dibenzofuran-4-yl-4-phenylquinazoline
CID 139327756
2-dibenzofuran-2-yl-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 176617028
2-chloro-3-dibenzofuran-2-yl-[1]benzofuro[2,3-b]pyrazine
CID 137433440
2,4-dichloro-6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 168908527
2-chloro-4-(4-naphthalen-2-ylphenyl)-[1]benzofuro[2,3-d]pyrimidine
CID 118544087

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-dibenzofuran-2-ylbenzo[f]quinazoline?
The IUPAC name of 3-chloro-1-dibenzofuran-2-ylbenzo[f]quinazoline (CID 126738166) is 3-chloro-1-dibenzofuran-2-ylbenzo[f]quinazoline.
What is the SMILES notation for 3-chloro-1-dibenzofuran-2-ylbenzo[f]quinazoline?
The canonical SMILES for 3-chloro-1-dibenzofuran-2-ylbenzo[f]quinazoline is Clc1nc(-c2ccc3oc4ccccc4c3c2)c2c(ccc3ccccc32)n1.
What is the InChIKey of 3-chloro-1-dibenzofuran-2-ylbenzo[f]quinazoline?
The InChIKey is XRZCMECXFGIUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13ClN2O/c25-24-26-19-11-9-14-5-1-2-6-16(14)22(19)23(27-24)15-10-12-21-18(13-15)17-7-3-4-8-20(17)28-21/h1-13H.
What are the key properties of 3-chloro-1-dibenzofuran-2-ylbenzo[f]quinazoline?
3-chloro-1-dibenzofuran-2-ylbenzo[f]quinazoline has a molecular weight of 380.83 g/mol, XLogP of 7.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-dibenzofuran-2-ylbenzo[f]quinazoline is sourced from PubChem (CID 126738166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).