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

C30H32FN5O3 — CID 118342601

IUPAC5-cyclobutyl-4-fluoro-2-methoxy-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile
SMILESCOc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C3CCC3)c2c(F)c1N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C30H32FN5O3/c1-38-24-16-22-27(26(31)28(24)35-9-7-19(8-10-35)34-11-13-39-14-12-34)36(20-3-2-4-20)30-25(29(22)37)21-6-5-18(17-32)15-23(21)33-30/h5-6,15-16,19-20,33H,2-4,7-14H2,1H3
InChIKeySHPJFLCXWOQOHY-UHFFFAOYSA-N
MW529.62 g/mol
LogP4.68
Rot. Bonds4

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

5-cyclobutyl-4-fluoro-2-methoxy-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile (PubChem CID 118342601) has the molecular formula C30H32FN5O3 and a molecular weight of 529.62 g/mol. Its IUPAC name is 5-cyclobutyl-4-fluoro-2-methoxy-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile.

Molecular Properties

Compound Name5-cyclobutyl-4-fluoro-2-methoxy-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile
PubChem CID118342601
Molecular FormulaC30H32FN5O3
Molecular Weight529.62 g/mol
Exact Mass529.25
IUPAC Name5-cyclobutyl-4-fluoro-2-methoxy-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile
SMILESCOc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C3CCC3)c2c(F)c1N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C30H32FN5O3/c1-38-24-16-22-27(26(31)28(24)35-9-7-19(8-10-35)34-11-13-39-14-12-34)36(20-3-2-4-20)30-25(29(22)37)21-6-5-18(17-32)15-23(21)33-30/h5-6,15-16,19-20,33H,2-4,7-14H2,1H3
InChIKeySHPJFLCXWOQOHY-UHFFFAOYSA-N
XLogP4.68
TPSA86.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.62
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-4-fluoro-2-methoxy-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile?
The IUPAC name of 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) is 5-cyclobutyl-4-fluoro-2-methoxy-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile.
What is the SMILES notation for 5-cyclobutyl-4-fluoro-2-methoxy-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile?
The canonical SMILES for 5-cyclobutyl-4-fluoro-2-methoxy-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile is COc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C3CCC3)c2c(F)c1N1CCC(N2CCOCC2)CC1.
What is the InChIKey of 5-cyclobutyl-4-fluoro-2-methoxy-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile?
The InChIKey is SHPJFLCXWOQOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN5O3/c1-38-24-16-22-27(26(31)28(24)35-9-7-19(8-10-35)34-11-13-39-14-12-34)36(20-3-2-4-20)30-25(29(22)37)21-6-5-18(17-32)15-23(21)33-30/h5-6,15-16,19-20,33H,2-4,7-14H2,1H3.
What are the key properties of 5-cyclobutyl-4-fluoro-2-methoxy-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile?
5-cyclobutyl-4-fluoro-2-methoxy-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile has a molecular weight of 529.62 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-4-fluoro-2-methoxy-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile is sourced from PubChem (CID 118342601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).