4-fluoro-2-methoxy-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile

C25H26FN5O2 — CID 118342493

IUPAC4-fluoro-2-methoxy-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
SMILESCOc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2c(F)c1N1CCN(C)CC1
InChIInChI=1S/C25H26FN5O2/c1-14(2)31-22-17(12-19(33-4)23(21(22)26)30-9-7-29(3)8-10-30)24(32)20-16-6-5-15(13-27)11-18(16)28-25(20)31/h5-6,11-12,14,28H,7-10H2,1-4H3
InChIKeyVEOQTJUYMMZGMJ-UHFFFAOYSA-N
MW447.51 g/mol
LogP3.99
Rot. Bonds3

About 4-fluoro-2-methoxy-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile

4-fluoro-2-methoxy-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile (PubChem CID 118342493) has the molecular formula C25H26FN5O2 and a molecular weight of 447.51 g/mol. Its IUPAC name is 4-fluoro-2-methoxy-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile.

Molecular Properties

Compound Name4-fluoro-2-methoxy-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
PubChem CID118342493
Molecular FormulaC25H26FN5O2
Molecular Weight447.51 g/mol
Exact Mass447.21
IUPAC Name4-fluoro-2-methoxy-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
SMILESCOc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2c(F)c1N1CCN(C)CC1
InChIInChI=1S/C25H26FN5O2/c1-14(2)31-22-17(12-19(33-4)23(21(22)26)30-9-7-29(3)8-10-30)24(32)20-16-6-5-15(13-27)11-18(16)28-25(20)31/h5-6,11-12,14,28H,7-10H2,1-4H3
InChIKeyVEOQTJUYMMZGMJ-UHFFFAOYSA-N
XLogP3.99
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

4-fluoro-3-[(3R)-3-iodo-4-methylpiperazin-1-yl]-2-methoxy-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 163724380
3-[(3R)-3,4-dimethylpiperazin-1-yl]-4-fluoro-2-methoxy-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 134536766
3-[(3R,5S)-4-(deuteriomethyl)-3,5-dimethylpiperazin-1-yl]-4-fluoro-2-methoxy-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 134524219
ethane;4-fluoro-2-methoxy-3-[1-(oxetan-3-yl)piperidin-4-yl]-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 144908666
7-fluoro-9-methoxy-8-[1-(oxetan-3-yl)piperidin-4-yl]-11-oxo-6-propan-2-yl-5H-indolo[2,3-b]quinoline-3-carbonitrile
CID 118342535
2-ethyl-4-fluoro-8-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-yl-6H-indolo[2,3-b]quinolin-11-one;2-ethyl-4-fluoro-3-[4-(oxetan-3-yl)piperazin-1-yl]-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile;2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 160801434
2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118347618
3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-2-prop-1-en-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118342625
5-cyclobutyl-4-fluoro-2-methoxy-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118342601
4-fluoro-2-(hydroxymethyl)-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 126652280
5-ethyl-2-methoxy-3-(4-methylpiperazin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile;1-methylpiperazine
CID 158905762
1-fluoro-11-oxo-5-propan-2-yl-2-propan-2-yloxy-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 139519046

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methoxy-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile?
The IUPAC name of 4-fluoro-2-methoxy-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile (CID 118342493) is 4-fluoro-2-methoxy-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile.
What is the SMILES notation for 4-fluoro-2-methoxy-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile?
The canonical SMILES for 4-fluoro-2-methoxy-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile is COc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2c(F)c1N1CCN(C)CC1.
What is the InChIKey of 4-fluoro-2-methoxy-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile?
The InChIKey is VEOQTJUYMMZGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O2/c1-14(2)31-22-17(12-19(33-4)23(21(22)26)30-9-7-29(3)8-10-30)24(32)20-16-6-5-15(13-27)11-18(16)28-25(20)31/h5-6,11-12,14,28H,7-10H2,1-4H3.
What are the key properties of 4-fluoro-2-methoxy-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile?
4-fluoro-2-methoxy-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile has a molecular weight of 447.51 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methoxy-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile is sourced from PubChem (CID 118342493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).