4-(10,10-dimethylindeno[1,2-b][1]benzofuran-1-yl)-7-propan-2-ylquinazoline

C28H24N2O — CID 168815109

IUPAC4-(10,10-dimethylindeno[1,2-b][1]benzofuran-1-yl)-7-propan-2-ylquinazoline
SMILESCC(C)c1ccc2c(-c3cccc4c3C(C)(C)c3c-4oc4ccccc34)ncnc2c1
InChIInChI=1S/C28H24N2O/c1-16(2)17-12-13-18-22(14-17)29-15-30-26(18)20-9-7-10-21-24(20)28(3,4)25-19-8-5-6-11-23(19)31-27(21)25/h5-16H,1-4H3
InChIKeyLZKGSBBJIHCWDC-UHFFFAOYSA-N
MW404.51 g/mol
LogP7.47
Rot. Bonds2

About 4-(10,10-dimethylindeno[1,2-b][1]benzofuran-1-yl)-7-propan-2-ylquinazoline

4-(10,10-dimethylindeno[1,2-b][1]benzofuran-1-yl)-7-propan-2-ylquinazoline (PubChem CID 168815109) has the molecular formula C28H24N2O and a molecular weight of 404.51 g/mol. Its IUPAC name is 4-(10,10-dimethylindeno[1,2-b][1]benzofuran-1-yl)-7-propan-2-ylquinazoline.

Molecular Properties

Compound Name4-(10,10-dimethylindeno[1,2-b][1]benzofuran-1-yl)-7-propan-2-ylquinazoline
PubChem CID168815109
Molecular FormulaC28H24N2O
Molecular Weight404.51 g/mol
Exact Mass404.19
IUPAC Name4-(10,10-dimethylindeno[1,2-b][1]benzofuran-1-yl)-7-propan-2-ylquinazoline
SMILESCC(C)c1ccc2c(-c3cccc4c3C(C)(C)c3c-4oc4ccccc34)ncnc2c1
InChIInChI=1S/C28H24N2O/c1-16(2)17-12-13-18-22(14-17)29-15-30-26(18)20-9-7-10-21-24(20)28(3,4)25-19-8-5-6-11-23(19)31-27(21)25/h5-16H,1-4H3
InChIKeyLZKGSBBJIHCWDC-UHFFFAOYSA-N
XLogP7.47
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[10,10-dimethyl-8-(2-methylpropyl)indeno[1,2-b][1]benzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 168815650
(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;4-(10,10-dimethyl-2H-indeno[1,2-b][1]benzofuran-2-id-1-yl)-8-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine;iridium
CID 168815102
2-(10,10-dimethyl-2H-indeno[1,2-b][1]benzofuran-2-id-1-yl)-6-propan-2-ylquinoline;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium
CID 168815656
4-(3,5-dimethylphenyl)-7-propan-2-ylquinazoline
CID 138464518
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;2-(10,10-dimethyl-2H-indeno[1,2-b][1]benzofuran-2-id-1-yl)-6-propan-2-ylquinoline;iridium
CID 168815469
2,3-bis(2-methyl-5-propan-2-ylazulen-1-yl)-1-benzofuran
CID 177481246
2-dibenzofuran-2-yl-4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 174245071
3-(10,10-dimethylindeno[1,2-b][1]benzofuran-4-yl)isoquinoline
CID 168815665
2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331
2-dibenzofuran-4-yl-5-propan-2-ylpyridine
CID 71236317
2-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-b]pyridine
CID 168747023
7-isocyano-4-(2-methyldibenzofuran-4-yl)quinazoline
CID 157423361

Frequently Asked Questions

What is the IUPAC name of 4-(10,10-dimethylindeno[1,2-b][1]benzofuran-1-yl)-7-propan-2-ylquinazoline?
The IUPAC name of 4-(10,10-dimethylindeno[1,2-b][1]benzofuran-1-yl)-7-propan-2-ylquinazoline (CID 168815109) is 4-(10,10-dimethylindeno[1,2-b][1]benzofuran-1-yl)-7-propan-2-ylquinazoline.
What is the SMILES notation for 4-(10,10-dimethylindeno[1,2-b][1]benzofuran-1-yl)-7-propan-2-ylquinazoline?
The canonical SMILES for 4-(10,10-dimethylindeno[1,2-b][1]benzofuran-1-yl)-7-propan-2-ylquinazoline is CC(C)c1ccc2c(-c3cccc4c3C(C)(C)c3c-4oc4ccccc34)ncnc2c1.
What is the InChIKey of 4-(10,10-dimethylindeno[1,2-b][1]benzofuran-1-yl)-7-propan-2-ylquinazoline?
The InChIKey is LZKGSBBJIHCWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O/c1-16(2)17-12-13-18-22(14-17)29-15-30-26(18)20-9-7-10-21-24(20)28(3,4)25-19-8-5-6-11-23(19)31-27(21)25/h5-16H,1-4H3.
What are the key properties of 4-(10,10-dimethylindeno[1,2-b][1]benzofuran-1-yl)-7-propan-2-ylquinazoline?
4-(10,10-dimethylindeno[1,2-b][1]benzofuran-1-yl)-7-propan-2-ylquinazoline has a molecular weight of 404.51 g/mol, XLogP of 7.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10,10-dimethylindeno[1,2-b][1]benzofuran-1-yl)-7-propan-2-ylquinazoline is sourced from PubChem (CID 168815109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).