2-chloro-4-naphtho[1,2-b][1]benzofuran-5-ylquinazoline

C24H13ClN2O — CID 147143483

IUPAC2-chloro-4-naphtho[1,2-b][1]benzofuran-5-ylquinazoline
SMILESClc1nc(-c2cc3c4ccccc4oc3c3ccccc23)c2ccccc2n1
InChIInChI=1S/C24H13ClN2O/c25-24-26-20-11-5-3-10-17(20)22(27-24)18-13-19-15-8-4-6-12-21(15)28-23(19)16-9-2-1-7-14(16)18/h1-13H
InChIKeyBSOUTRWCLRVUNN-UHFFFAOYSA-N
MW380.83 g/mol
LogP7.00
Rot. Bonds1

About 2-chloro-4-naphtho[1,2-b][1]benzofuran-5-ylquinazoline

2-chloro-4-naphtho[1,2-b][1]benzofuran-5-ylquinazoline (PubChem CID 147143483) has the molecular formula C24H13ClN2O and a molecular weight of 380.83 g/mol. Its IUPAC name is 2-chloro-4-naphtho[1,2-b][1]benzofuran-5-ylquinazoline.

Molecular Properties

Compound Name2-chloro-4-naphtho[1,2-b][1]benzofuran-5-ylquinazoline
PubChem CID147143483
Molecular FormulaC24H13ClN2O
Molecular Weight380.83 g/mol
Exact Mass380.07
IUPAC Name2-chloro-4-naphtho[1,2-b][1]benzofuran-5-ylquinazoline
SMILESClc1nc(-c2cc3c4ccccc4oc3c3ccccc23)c2ccccc2n1
InChIInChI=1S/C24H13ClN2O/c25-24-26-20-11-5-3-10-17(20)22(27-24)18-13-19-15-8-4-6-12-21(15)28-23(19)16-9-2-1-7-14(16)18/h1-13H
InChIKeyBSOUTRWCLRVUNN-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

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Related Compounds

2-chloro-4-dibenzofuran-4-ylquinazoline
CID 89282885
2-chloro-4-dibenzofuran-1-ylquinazoline
CID 126536609
2-chloro-6-dibenzofuran-4-yl-4-phenylquinazoline
CID 139327756
2-phenyl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)quinazoline
CID 176818481
5-chloronaphtho[1,2-b][1]benzofuran
CID 163580167
2-chloro-4-(3-dibenzofuran-4-ylphenyl)-6-phenylpyrimidine
CID 146489037
2-chloro-4-(2,4-dimethylphenyl)quinazoline
CID 170033242
2,4-dichloro-6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 168908527
2-(9-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)-3-phenylquinoxaline
CID 176818625
(Z)-but-2-ene;2-[(E)-but-2-en-2-yl]-4-naphtho[1,2-b][1]benzofuran-4-ylquinazoline
CID 142619051
4-naphtho[1,2-b][1]benzofuran-2-yl-2-[4-(4-phenylphenyl)phenyl]quinazoline
CID 155326645
2,4-diphenyl-6-[4-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine
CID 176853604

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-naphtho[1,2-b][1]benzofuran-5-ylquinazoline?
The IUPAC name of 2-chloro-4-naphtho[1,2-b][1]benzofuran-5-ylquinazoline (CID 147143483) is 2-chloro-4-naphtho[1,2-b][1]benzofuran-5-ylquinazoline.
What is the SMILES notation for 2-chloro-4-naphtho[1,2-b][1]benzofuran-5-ylquinazoline?
The canonical SMILES for 2-chloro-4-naphtho[1,2-b][1]benzofuran-5-ylquinazoline is Clc1nc(-c2cc3c4ccccc4oc3c3ccccc23)c2ccccc2n1.
What is the InChIKey of 2-chloro-4-naphtho[1,2-b][1]benzofuran-5-ylquinazoline?
The InChIKey is BSOUTRWCLRVUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13ClN2O/c25-24-26-20-11-5-3-10-17(20)22(27-24)18-13-19-15-8-4-6-12-21(15)28-23(19)16-9-2-1-7-14(16)18/h1-13H.
What are the key properties of 2-chloro-4-naphtho[1,2-b][1]benzofuran-5-ylquinazoline?
2-chloro-4-naphtho[1,2-b][1]benzofuran-5-ylquinazoline 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 2-chloro-4-naphtho[1,2-b][1]benzofuran-5-ylquinazoline is sourced from PubChem (CID 147143483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).