1-(2,3-dimethylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane]

C27H31N3O2 — CID 67285103

IUPAC1-(2,3-dimethylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane]
SMILESCc1nc2ccccc2c(N2CC3(CCOCC3)c3ccc(N4CCOCC4)cc32)c1C
InChIInChI=1S/C27H31N3O2/c1-19-20(2)28-24-6-4-3-5-22(24)26(19)30-18-27(9-13-31-14-10-27)23-8-7-21(17-25(23)30)29-11-15-32-16-12-29/h3-8,17H,9-16,18H2,1-2H3
InChIKeyRGAVJFDTYUBJAZ-UHFFFAOYSA-N
MW429.56 g/mol
LogP4.89
Rot. Bonds2

About 1-(2,3-dimethylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane]

1-(2,3-dimethylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane] (PubChem CID 67285103) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is 1-(2,3-dimethylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane].

Molecular Properties

Compound Name1-(2,3-dimethylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane]
PubChem CID67285103
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC Name1-(2,3-dimethylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane]
SMILESCc1nc2ccccc2c(N2CC3(CCOCC3)c3ccc(N4CCOCC4)cc32)c1C
InChIInChI=1S/C27H31N3O2/c1-19-20(2)28-24-6-4-3-5-22(24)26(19)30-18-27(9-13-31-14-10-27)23-8-7-21(17-25(23)30)29-11-15-32-16-12-29/h3-8,17H,9-16,18H2,1-2H3
InChIKeyRGAVJFDTYUBJAZ-UHFFFAOYSA-N
XLogP4.89
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,3-dimethylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane]?
The IUPAC name of 1-(2,3-dimethylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane] (CID 67285103) is 1-(2,3-dimethylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane].
What is the SMILES notation for 1-(2,3-dimethylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane]?
The canonical SMILES for 1-(2,3-dimethylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane] is Cc1nc2ccccc2c(N2CC3(CCOCC3)c3ccc(N4CCOCC4)cc32)c1C.
What is the InChIKey of 1-(2,3-dimethylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane]?
The InChIKey is RGAVJFDTYUBJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-19-20(2)28-24-6-4-3-5-22(24)26(19)30-18-27(9-13-31-14-10-27)23-8-7-21(17-25(23)30)29-11-15-32-16-12-29/h3-8,17H,9-16,18H2,1-2H3.
What are the key properties of 1-(2,3-dimethylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane]?
1-(2,3-dimethylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane] has a molecular weight of 429.56 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane] is sourced from PubChem (CID 67285103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).