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

C30H35FN4O3 — CID 144908666

IUPACethane;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
SMILESCC.COc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2c(F)c1C1CCN(C2COC2)CC1
InChIInChI=1S/C28H29FN4O3.C2H6/c1-15(2)33-26-20(27(34)24-19-5-4-16(12-30)10-21(19)31-28(24)33)11-22(35-3)23(25(26)29)17-6-8-32(9-7-17)18-13-36-14-18;1-2/h4-5,10-11,15,17-18,31H,6-9,13-14H2,1-3H3;1-2H3
InChIKeyFAVJVEKBZCNCNF-UHFFFAOYSA-N
MW518.63 g/mol
LogP5.84
Rot. Bonds4

About 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

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 (PubChem CID 144908666) has the molecular formula C30H35FN4O3 and a molecular weight of 518.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethane;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
PubChem CID144908666
Molecular FormulaC30H35FN4O3
Molecular Weight518.63 g/mol
Exact Mass518.27
IUPAC Nameethane;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
SMILESCC.COc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2c(F)c1C1CCN(C2COC2)CC1
InChIInChI=1S/C28H29FN4O3.C2H6/c1-15(2)33-26-20(27(34)24-19-5-4-16(12-30)10-21(19)31-28(24)33)11-22(35-3)23(25(26)29)17-6-8-32(9-7-17)18-13-36-14-18;1-2/h4-5,10-11,15,17-18,31H,6-9,13-14H2,1-3H3;1-2H3
InChIKeyFAVJVEKBZCNCNF-UHFFFAOYSA-N
XLogP5.84
TPSA83.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.63
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.COc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2c(F)c1C1CCN(C2COC2)CC1.
What is the InChIKey of 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?
The InChIKey is FAVJVEKBZCNCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN4O3.C2H6/c1-15(2)33-26-20(27(34)24-19-5-4-16(12-30)10-21(19)31-28(24)33)11-22(35-3)23(25(26)29)17-6-8-32(9-7-17)18-13-36-14-18;1-2/h4-5,10-11,15,17-18,31H,6-9,13-14H2,1-3H3;1-2H3.
What are the key properties of 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?
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 has a molecular weight of 518.63 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 144908666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).