(2-fluoro-9-methoxy-11-phenylindolo[1,2-b]cinnolin-12-yl)-phenylmethanone

C29H19FN2O2 — CID 162409807

IUPAC(2-fluoro-9-methoxy-11-phenylindolo[1,2-b]cinnolin-12-yl)-phenylmethanone
SMILESCOc1ccc2nn3c(c(-c4ccccc4)c2c1)c(C(=O)c1ccccc1)c1cc(F)ccc13
InChIInChI=1S/C29H19FN2O2/c1-34-21-13-14-24-22(17-21)26(18-8-4-2-5-9-18)28-27(29(33)19-10-6-3-7-11-19)23-16-20(30)12-15-25(23)32(28)31-24/h2-17H,1H3
InChIKeyUCYCKSZIPGQUMC-UHFFFAOYSA-N
MW446.48 g/mol
LogP6.69
Rot. Bonds4

About (2-fluoro-9-methoxy-11-phenylindolo[1,2-b]cinnolin-12-yl)-phenylmethanone

(2-fluoro-9-methoxy-11-phenylindolo[1,2-b]cinnolin-12-yl)-phenylmethanone (PubChem CID 162409807) has the molecular formula C29H19FN2O2 and a molecular weight of 446.48 g/mol. Its IUPAC name is (2-fluoro-9-methoxy-11-phenylindolo[1,2-b]cinnolin-12-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-fluoro-9-methoxy-11-phenylindolo[1,2-b]cinnolin-12-yl)-phenylmethanone
PubChem CID162409807
Molecular FormulaC29H19FN2O2
Molecular Weight446.48 g/mol
Exact Mass446.14
IUPAC Name(2-fluoro-9-methoxy-11-phenylindolo[1,2-b]cinnolin-12-yl)-phenylmethanone
SMILESCOc1ccc2nn3c(c(-c4ccccc4)c2c1)c(C(=O)c1ccccc1)c1cc(F)ccc13
InChIInChI=1S/C29H19FN2O2/c1-34-21-13-14-24-22(17-21)26(18-8-4-2-5-9-18)28-27(29(33)19-10-6-3-7-11-19)23-16-20(30)12-15-25(23)32(28)31-24/h2-17H,1H3
InChIKeyUCYCKSZIPGQUMC-UHFFFAOYSA-N
XLogP6.69
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.48
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-fluoro-9-methoxy-11-phenylindolo[1,2-b]cinnolin-12-yl)-phenylmethanone with MolForge

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Related Compounds

1-[4-(3-Acetyl-5-methoxy-2-methylindol-1-yl)phenyl]ethanone
CID 744719
1-(5-methoxy-2-methyl-1-phenyl-1H-indol-3-yl)ethanone
CID 746058
1-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 661018
1-(5-ethoxy-2-methyl-1-phenyl-1H-indol-3-yl)ethanone
CID 940424
1-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 1899073
1-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-(4-(4-methoxyphenyl)piperazin-1-yl)ethanone
CID 1915325
2-(4-benzylpiperazin-1-yl)-1-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)ethanone
CID 3782860
1-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 4438099
7-methoxy-3-phenyl-3,4-dihydro-2H-acridin-1-one
CID 156016983
1-[5-methoxy-2-methyl-1-(2-phenylethyl)-1H-indol-3-yl]ethanone
CID 762484
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone
CID 915527
2-Fluoro-9-methoxy-6-(4-methoxyphenyl)indeno[1,2-c]quinolin-11-one
CID 46228189

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-9-methoxy-11-phenylindolo[1,2-b]cinnolin-12-yl)-phenylmethanone?
The IUPAC name of (2-fluoro-9-methoxy-11-phenylindolo[1,2-b]cinnolin-12-yl)-phenylmethanone (CID 162409807) is (2-fluoro-9-methoxy-11-phenylindolo[1,2-b]cinnolin-12-yl)-phenylmethanone.
What is the SMILES notation for (2-fluoro-9-methoxy-11-phenylindolo[1,2-b]cinnolin-12-yl)-phenylmethanone?
The canonical SMILES for (2-fluoro-9-methoxy-11-phenylindolo[1,2-b]cinnolin-12-yl)-phenylmethanone is COc1ccc2nn3c(c(-c4ccccc4)c2c1)c(C(=O)c1ccccc1)c1cc(F)ccc13.
What is the InChIKey of (2-fluoro-9-methoxy-11-phenylindolo[1,2-b]cinnolin-12-yl)-phenylmethanone?
The InChIKey is UCYCKSZIPGQUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19FN2O2/c1-34-21-13-14-24-22(17-21)26(18-8-4-2-5-9-18)28-27(29(33)19-10-6-3-7-11-19)23-16-20(30)12-15-25(23)32(28)31-24/h2-17H,1H3.
What are the key properties of (2-fluoro-9-methoxy-11-phenylindolo[1,2-b]cinnolin-12-yl)-phenylmethanone?
(2-fluoro-9-methoxy-11-phenylindolo[1,2-b]cinnolin-12-yl)-phenylmethanone has a molecular weight of 446.48 g/mol, XLogP of 6.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-9-methoxy-11-phenylindolo[1,2-b]cinnolin-12-yl)-phenylmethanone is sourced from PubChem (CID 162409807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).