1-methyl-4-[7-(morpholin-4-ylmethyl)quinolin-4-yl]-6-(piperidin-1-ylmethyl)-3H-indol-2-one

C29H34N4O2 — CID 173194314

IUPAC1-methyl-4-[7-(morpholin-4-ylmethyl)quinolin-4-yl]-6-(piperidin-1-ylmethyl)-3H-indol-2-one
SMILESCN1C(=O)Cc2c(-c3ccnc4cc(CN5CCOCC5)ccc34)cc(CN3CCCCC3)cc21
InChIInChI=1S/C29H34N4O2/c1-31-28-17-22(20-32-9-3-2-4-10-32)15-25(26(28)18-29(31)34)23-7-8-30-27-16-21(5-6-24(23)27)19-33-11-13-35-14-12-33/h5-8,15-17H,2-4,9-14,18-20H2,1H3
InChIKeyOJVFVQLSMMLHRQ-UHFFFAOYSA-N
MW470.62 g/mol
LogP4.24
Rot. Bonds5

About 1-methyl-4-[7-(morpholin-4-ylmethyl)quinolin-4-yl]-6-(piperidin-1-ylmethyl)-3H-indol-2-one

1-methyl-4-[7-(morpholin-4-ylmethyl)quinolin-4-yl]-6-(piperidin-1-ylmethyl)-3H-indol-2-one (PubChem CID 173194314) has the molecular formula C29H34N4O2 and a molecular weight of 470.62 g/mol. Its IUPAC name is 1-methyl-4-[7-(morpholin-4-ylmethyl)quinolin-4-yl]-6-(piperidin-1-ylmethyl)-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-4-[7-(morpholin-4-ylmethyl)quinolin-4-yl]-6-(piperidin-1-ylmethyl)-3H-indol-2-one
PubChem CID173194314
Molecular FormulaC29H34N4O2
Molecular Weight470.62 g/mol
Exact Mass470.27
IUPAC Name1-methyl-4-[7-(morpholin-4-ylmethyl)quinolin-4-yl]-6-(piperidin-1-ylmethyl)-3H-indol-2-one
SMILESCN1C(=O)Cc2c(-c3ccnc4cc(CN5CCOCC5)ccc34)cc(CN3CCCCC3)cc21
InChIInChI=1S/C29H34N4O2/c1-31-28-17-22(20-32-9-3-2-4-10-32)15-25(26(28)18-29(31)34)23-7-8-30-27-16-21(5-6-24(23)27)19-33-11-13-35-14-12-33/h5-8,15-17H,2-4,9-14,18-20H2,1H3
InChIKeyOJVFVQLSMMLHRQ-UHFFFAOYSA-N
XLogP4.24
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[7-(morpholin-4-ylmethyl)quinolin-4-yl]-6-(piperidin-1-ylmethyl)-3H-indol-2-one?
The IUPAC name of 1-methyl-4-[7-(morpholin-4-ylmethyl)quinolin-4-yl]-6-(piperidin-1-ylmethyl)-3H-indol-2-one (CID 173194314) is 1-methyl-4-[7-(morpholin-4-ylmethyl)quinolin-4-yl]-6-(piperidin-1-ylmethyl)-3H-indol-2-one.
What is the SMILES notation for 1-methyl-4-[7-(morpholin-4-ylmethyl)quinolin-4-yl]-6-(piperidin-1-ylmethyl)-3H-indol-2-one?
The canonical SMILES for 1-methyl-4-[7-(morpholin-4-ylmethyl)quinolin-4-yl]-6-(piperidin-1-ylmethyl)-3H-indol-2-one is CN1C(=O)Cc2c(-c3ccnc4cc(CN5CCOCC5)ccc34)cc(CN3CCCCC3)cc21.
What is the InChIKey of 1-methyl-4-[7-(morpholin-4-ylmethyl)quinolin-4-yl]-6-(piperidin-1-ylmethyl)-3H-indol-2-one?
The InChIKey is OJVFVQLSMMLHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O2/c1-31-28-17-22(20-32-9-3-2-4-10-32)15-25(26(28)18-29(31)34)23-7-8-30-27-16-21(5-6-24(23)27)19-33-11-13-35-14-12-33/h5-8,15-17H,2-4,9-14,18-20H2,1H3.
What are the key properties of 1-methyl-4-[7-(morpholin-4-ylmethyl)quinolin-4-yl]-6-(piperidin-1-ylmethyl)-3H-indol-2-one?
1-methyl-4-[7-(morpholin-4-ylmethyl)quinolin-4-yl]-6-(piperidin-1-ylmethyl)-3H-indol-2-one has a molecular weight of 470.62 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[7-(morpholin-4-ylmethyl)quinolin-4-yl]-6-(piperidin-1-ylmethyl)-3H-indol-2-one is sourced from PubChem (CID 173194314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).