4-[(1-quinolin-6-ylindol-5-yl)methyl]morpholine

C22H21N3O — CID 156772741

IUPAC4-[(1-quinolin-6-ylindol-5-yl)methyl]morpholine
SMILESc1cnc2ccc(-n3ccc4cc(CN5CCOCC5)ccc43)cc2c1
InChIInChI=1S/C22H21N3O/c1-2-18-15-20(4-5-21(18)23-8-1)25-9-7-19-14-17(3-6-22(19)25)16-24-10-12-26-13-11-24/h1-9,14-15H,10-13,16H2
InChIKeyZONDHBYGEHDTBC-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.01
Rot. Bonds3

About 4-[(1-quinolin-6-ylindol-5-yl)methyl]morpholine

4-[(1-quinolin-6-ylindol-5-yl)methyl]morpholine (PubChem CID 156772741) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-[(1-quinolin-6-ylindol-5-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(1-quinolin-6-ylindol-5-yl)methyl]morpholine
PubChem CID156772741
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name4-[(1-quinolin-6-ylindol-5-yl)methyl]morpholine
SMILESc1cnc2ccc(-n3ccc4cc(CN5CCOCC5)ccc43)cc2c1
InChIInChI=1S/C22H21N3O/c1-2-18-15-20(4-5-21(18)23-8-1)25-9-7-19-14-17(3-6-22(19)25)16-24-10-12-26-13-11-24/h1-9,14-15H,10-13,16H2
InChIKeyZONDHBYGEHDTBC-UHFFFAOYSA-N
XLogP4.01
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-quinolin-6-ylindol-5-yl)methyl]morpholine?
The IUPAC name of 4-[(1-quinolin-6-ylindol-5-yl)methyl]morpholine (CID 156772741) is 4-[(1-quinolin-6-ylindol-5-yl)methyl]morpholine.
What is the SMILES notation for 4-[(1-quinolin-6-ylindol-5-yl)methyl]morpholine?
The canonical SMILES for 4-[(1-quinolin-6-ylindol-5-yl)methyl]morpholine is c1cnc2ccc(-n3ccc4cc(CN5CCOCC5)ccc43)cc2c1.
What is the InChIKey of 4-[(1-quinolin-6-ylindol-5-yl)methyl]morpholine?
The InChIKey is ZONDHBYGEHDTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-2-18-15-20(4-5-21(18)23-8-1)25-9-7-19-14-17(3-6-22(19)25)16-24-10-12-26-13-11-24/h1-9,14-15H,10-13,16H2.
What are the key properties of 4-[(1-quinolin-6-ylindol-5-yl)methyl]morpholine?
4-[(1-quinolin-6-ylindol-5-yl)methyl]morpholine has a molecular weight of 343.43 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-quinolin-6-ylindol-5-yl)methyl]morpholine is sourced from PubChem (CID 156772741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).