6-(1-benzothiophen-3-yl)indolo[1,2-c]quinazoline

C23H14N2S — CID 45276789

IUPAC6-(1-benzothiophen-3-yl)indolo[1,2-c]quinazoline
SMILESc1ccc2c(c1)cc1c3ccccc3nc(-c3csc4ccccc34)n21
InChIInChI=1S/C23H14N2S/c1-5-11-20-15(7-1)13-21-17-9-2-4-10-19(17)24-23(25(20)21)18-14-26-22-12-6-3-8-16(18)22/h1-14H
InChIKeySXVPTUAVVZGYIZ-UHFFFAOYSA-N
MW350.45 g/mol
LogP6.52
Rot. Bonds1

About 6-(1-benzothiophen-3-yl)indolo[1,2-c]quinazoline

6-(1-benzothiophen-3-yl)indolo[1,2-c]quinazoline (PubChem CID 45276789) has the molecular formula C23H14N2S and a molecular weight of 350.45 g/mol. Its IUPAC name is 6-(1-benzothiophen-3-yl)indolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-(1-benzothiophen-3-yl)indolo[1,2-c]quinazoline
PubChem CID45276789
Molecular FormulaC23H14N2S
Molecular Weight350.45 g/mol
Exact Mass350.09
IUPAC Name6-(1-benzothiophen-3-yl)indolo[1,2-c]quinazoline
SMILESc1ccc2c(c1)cc1c3ccccc3nc(-c3csc4ccccc34)n21
InChIInChI=1S/C23H14N2S/c1-5-11-20-15(7-1)13-21-17-9-2-4-10-19(17)24-23(25(20)21)18-14-26-22-12-6-3-8-16(18)22/h1-14H
InChIKeySXVPTUAVVZGYIZ-UHFFFAOYSA-N
XLogP6.52
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.45
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-indolo[1,2-c]quinazolin-6-yl-6-methyl-1,3-benzothiazole
CID 10872241
2-indolo[1,2-c]quinazolin-6-yl-4-nitrophenol
CID 135908680
6-methylsulfanylindolo[1,2-c]quinazoline
CID 15529116
CID 163867166
CID 163867166
5-(1-benzothiophen-3-yl)-2,3-dihydro-1H-tetrazole
CID 170201826
6-(4-dibenzothiophen-4-ylphenyl)indolo[1,2-a]quinoxaline
CID 145180261
4-(1-benzothiophen-3-yl)-2-bromo-6-methylpyrimidine
CID 116897334
6-(1-benzothiophen-2-yl)indolo[1,2-a]quinoxaline
CID 162406863
2,22,29-triazaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.023,28]nonacosa-1(29),3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecaene
CID 139436081
2-(1-benzothiophen-3-yl)-4-fluoro-1-(2,4,6-trimethylphenyl)imidazole
CID 140748711
3-(1-benzothiophen-3-yl)-4-cyclopropyl-1,2,4-triazole
CID 115394139
2-(1-benzothiophen-2-yl)-1-phenylbenzimidazole
CID 134337994

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzothiophen-3-yl)indolo[1,2-c]quinazoline?
The IUPAC name of 6-(1-benzothiophen-3-yl)indolo[1,2-c]quinazoline (CID 45276789) is 6-(1-benzothiophen-3-yl)indolo[1,2-c]quinazoline.
What is the SMILES notation for 6-(1-benzothiophen-3-yl)indolo[1,2-c]quinazoline?
The canonical SMILES for 6-(1-benzothiophen-3-yl)indolo[1,2-c]quinazoline is c1ccc2c(c1)cc1c3ccccc3nc(-c3csc4ccccc34)n21.
What is the InChIKey of 6-(1-benzothiophen-3-yl)indolo[1,2-c]quinazoline?
The InChIKey is SXVPTUAVVZGYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N2S/c1-5-11-20-15(7-1)13-21-17-9-2-4-10-19(17)24-23(25(20)21)18-14-26-22-12-6-3-8-16(18)22/h1-14H.
What are the key properties of 6-(1-benzothiophen-3-yl)indolo[1,2-c]quinazoline?
6-(1-benzothiophen-3-yl)indolo[1,2-c]quinazoline has a molecular weight of 350.45 g/mol, XLogP of 6.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzothiophen-3-yl)indolo[1,2-c]quinazoline is sourced from PubChem (CID 45276789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).