2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenylquinazoline

C30H18N2O — CID 164936942

IUPAC2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenylquinazoline
SMILESc1ccc(-c2nc(-c3ccc4c(c3)-c3cccc5cccc(c35)O4)nc3ccccc23)cc1
InChIInChI=1S/C30H18N2O/c1-2-8-20(9-3-1)29-23-12-4-5-14-25(23)31-30(32-29)21-16-17-26-24(18-21)22-13-6-10-19-11-7-15-27(33-26)28(19)22/h1-18H
InChIKeyIMFJBYZWEUKJEA-UHFFFAOYSA-N
MW422.49 g/mol
LogP7.89
Rot. Bonds2

About 2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenylquinazoline

2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenylquinazoline (PubChem CID 164936942) has the molecular formula C30H18N2O and a molecular weight of 422.49 g/mol. Its IUPAC name is 2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenylquinazoline.

Molecular Properties

Compound Name2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenylquinazoline
PubChem CID164936942
Molecular FormulaC30H18N2O
Molecular Weight422.49 g/mol
Exact Mass422.14
IUPAC Name2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenylquinazoline
SMILESc1ccc(-c2nc(-c3ccc4c(c3)-c3cccc5cccc(c35)O4)nc3ccccc23)cc1
InChIInChI=1S/C30H18N2O/c1-2-8-20(9-3-1)29-23-12-4-5-14-25(23)31-30(32-29)21-16-17-26-24(18-21)22-13-6-10-19-11-7-15-27(33-26)28(19)22/h1-18H
InChIKeyIMFJBYZWEUKJEA-UHFFFAOYSA-N
XLogP7.89
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.49
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenylquinazoline 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

2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 164937287
2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 164937010
2-[3-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164937190
2-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 164937297
4-[4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine
CID 164937180
2-naphthalen-1-yl-4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 164937302
2-(4-naphthalen-2-ylphenyl)-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-6-phenyl-1,3,5-triazine
CID 164937187
4-phenyl-2-(5-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-yl)quinazoline
CID 170182949
2-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 164937283
4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-2,6-diphenylpyrimidine
CID 164937047
4-[4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 164936933
2-dibenzofuran-3-yl-4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 164936874

Frequently Asked Questions

What is the IUPAC name of 2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenylquinazoline?
The IUPAC name of 2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenylquinazoline (CID 164936942) is 2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenylquinazoline.
What is the SMILES notation for 2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenylquinazoline?
The canonical SMILES for 2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenylquinazoline is c1ccc(-c2nc(-c3ccc4c(c3)-c3cccc5cccc(c35)O4)nc3ccccc23)cc1.
What is the InChIKey of 2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenylquinazoline?
The InChIKey is IMFJBYZWEUKJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18N2O/c1-2-8-20(9-3-1)29-23-12-4-5-14-25(23)31-30(32-29)21-16-17-26-24(18-21)22-13-6-10-19-11-7-15-27(33-26)28(19)22/h1-18H.
What are the key properties of 2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenylquinazoline?
2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenylquinazoline has a molecular weight of 422.49 g/mol, XLogP of 7.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenylquinazoline is sourced from PubChem (CID 164936942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).