2-ethyl-4-fluoro-8-methyl-3-(4-morpholin-4-ylpiperidin-1-yl)-5-propan-2-yl-6H-indolo[2,3-b]quinolin-11-one

C30H37FN4O2 — CID 131990433

IUPAC2-ethyl-4-fluoro-8-methyl-3-(4-morpholin-4-ylpiperidin-1-yl)-5-propan-2-yl-6H-indolo[2,3-b]quinolin-11-one
SMILESCCc1cc2c(=O)c3c4ccc(C)cc4[nH]c3n(C(C)C)c2c(F)c1N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C30H37FN4O2/c1-5-20-17-23-28(26(31)27(20)34-10-8-21(9-11-34)33-12-14-37-15-13-33)35(18(2)3)30-25(29(23)36)22-7-6-19(4)16-24(22)32-30/h6-7,16-18,21,32H,5,8-15H2,1-4H3
InChIKeyIWNVXGMJNHEPML-UHFFFAOYSA-N
MW504.65 g/mol
LogP5.53
Rot. Bonds4

About 2-ethyl-4-fluoro-8-methyl-3-(4-morpholin-4-ylpiperidin-1-yl)-5-propan-2-yl-6H-indolo[2,3-b]quinolin-11-one

2-ethyl-4-fluoro-8-methyl-3-(4-morpholin-4-ylpiperidin-1-yl)-5-propan-2-yl-6H-indolo[2,3-b]quinolin-11-one (PubChem CID 131990433) has the molecular formula C30H37FN4O2 and a molecular weight of 504.65 g/mol. Its IUPAC name is 2-ethyl-4-fluoro-8-methyl-3-(4-morpholin-4-ylpiperidin-1-yl)-5-propan-2-yl-6H-indolo[2,3-b]quinolin-11-one.

Molecular Properties

Compound Name2-ethyl-4-fluoro-8-methyl-3-(4-morpholin-4-ylpiperidin-1-yl)-5-propan-2-yl-6H-indolo[2,3-b]quinolin-11-one
PubChem CID131990433
Molecular FormulaC30H37FN4O2
Molecular Weight504.65 g/mol
Exact Mass504.29
IUPAC Name2-ethyl-4-fluoro-8-methyl-3-(4-morpholin-4-ylpiperidin-1-yl)-5-propan-2-yl-6H-indolo[2,3-b]quinolin-11-one
SMILESCCc1cc2c(=O)c3c4ccc(C)cc4[nH]c3n(C(C)C)c2c(F)c1N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C30H37FN4O2/c1-5-20-17-23-28(26(31)27(20)34-10-8-21(9-11-34)33-12-14-37-15-13-33)35(18(2)3)30-25(29(23)36)22-7-6-19(4)16-24(22)32-30/h6-7,16-18,21,32H,5,8-15H2,1-4H3
InChIKeyIWNVXGMJNHEPML-UHFFFAOYSA-N
XLogP5.53
TPSA53.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.65
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-fluoro-8-methyl-3-(4-morpholin-4-ylpiperidin-1-yl)-5-propan-2-yl-6H-indolo[2,3-b]quinolin-11-one?
The IUPAC name of 2-ethyl-4-fluoro-8-methyl-3-(4-morpholin-4-ylpiperidin-1-yl)-5-propan-2-yl-6H-indolo[2,3-b]quinolin-11-one (CID 131990433) is 2-ethyl-4-fluoro-8-methyl-3-(4-morpholin-4-ylpiperidin-1-yl)-5-propan-2-yl-6H-indolo[2,3-b]quinolin-11-one.
What is the SMILES notation for 2-ethyl-4-fluoro-8-methyl-3-(4-morpholin-4-ylpiperidin-1-yl)-5-propan-2-yl-6H-indolo[2,3-b]quinolin-11-one?
The canonical SMILES for 2-ethyl-4-fluoro-8-methyl-3-(4-morpholin-4-ylpiperidin-1-yl)-5-propan-2-yl-6H-indolo[2,3-b]quinolin-11-one is CCc1cc2c(=O)c3c4ccc(C)cc4[nH]c3n(C(C)C)c2c(F)c1N1CCC(N2CCOCC2)CC1.
What is the InChIKey of 2-ethyl-4-fluoro-8-methyl-3-(4-morpholin-4-ylpiperidin-1-yl)-5-propan-2-yl-6H-indolo[2,3-b]quinolin-11-one?
The InChIKey is IWNVXGMJNHEPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37FN4O2/c1-5-20-17-23-28(26(31)27(20)34-10-8-21(9-11-34)33-12-14-37-15-13-33)35(18(2)3)30-25(29(23)36)22-7-6-19(4)16-24(22)32-30/h6-7,16-18,21,32H,5,8-15H2,1-4H3.
What are the key properties of 2-ethyl-4-fluoro-8-methyl-3-(4-morpholin-4-ylpiperidin-1-yl)-5-propan-2-yl-6H-indolo[2,3-b]quinolin-11-one?
2-ethyl-4-fluoro-8-methyl-3-(4-morpholin-4-ylpiperidin-1-yl)-5-propan-2-yl-6H-indolo[2,3-b]quinolin-11-one has a molecular weight of 504.65 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-fluoro-8-methyl-3-(4-morpholin-4-ylpiperidin-1-yl)-5-propan-2-yl-6H-indolo[2,3-b]quinolin-11-one is sourced from PubChem (CID 131990433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).