[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-quinolin-8-ylmethanone

C25H25N3O2 — CID 10408638

IUPAC[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-quinolin-8-ylmethanone
SMILESCc1c(C(=O)c2cccc3cccnc23)c2ccccc2n1CCN1CCOCC1
InChIInChI=1S/C25H25N3O2/c1-18-23(25(29)21-9-4-6-19-7-5-11-26-24(19)21)20-8-2-3-10-22(20)28(18)13-12-27-14-16-30-17-15-27/h2-11H,12-17H2,1H3
InChIKeyJVPVYHNGWRWLBG-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.06
Rot. Bonds5

About [2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-quinolin-8-ylmethanone

[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-quinolin-8-ylmethanone (PubChem CID 10408638) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is [2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-quinolin-8-ylmethanone.

Molecular Properties

Compound Name[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-quinolin-8-ylmethanone
PubChem CID10408638
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-quinolin-8-ylmethanone
SMILESCc1c(C(=O)c2cccc3cccnc23)c2ccccc2n1CCN1CCOCC1
InChIInChI=1S/C25H25N3O2/c1-18-23(25(29)21-9-4-6-19-7-5-11-26-24(19)21)20-8-2-3-10-22(20)28(18)13-12-27-14-16-30-17-15-27/h2-11H,12-17H2,1H3
InChIKeyJVPVYHNGWRWLBG-UHFFFAOYSA-N
XLogP4.06
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-quinolin-8-ylmethanone?
The IUPAC name of [2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-quinolin-8-ylmethanone (CID 10408638) is [2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-quinolin-8-ylmethanone.
What is the SMILES notation for [2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-quinolin-8-ylmethanone?
The canonical SMILES for [2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-quinolin-8-ylmethanone is Cc1c(C(=O)c2cccc3cccnc23)c2ccccc2n1CCN1CCOCC1.
What is the InChIKey of [2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-quinolin-8-ylmethanone?
The InChIKey is JVPVYHNGWRWLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-18-23(25(29)21-9-4-6-19-7-5-11-26-24(19)21)20-8-2-3-10-22(20)28(18)13-12-27-14-16-30-17-15-27/h2-11H,12-17H2,1H3.
What are the key properties of [2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-quinolin-8-ylmethanone?
[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-quinolin-8-ylmethanone has a molecular weight of 399.49 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-quinolin-8-ylmethanone is sourced from PubChem (CID 10408638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).