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

C32H33N3O2 — CID 50939344

IUPAC1-(3-methyl-2-phenylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane]
SMILESCc1c(-c2ccccc2)nc2ccccc2c1N1CC2(CCOCC2)c2ccc(N3CCOCC3)cc21
InChIInChI=1S/C32H33N3O2/c1-23-30(24-7-3-2-4-8-24)33-28-10-6-5-9-26(28)31(23)35-22-32(13-17-36-18-14-32)27-12-11-25(21-29(27)35)34-15-19-37-20-16-34/h2-12,21H,13-20,22H2,1H3
InChIKeyOUANTMXZBCCPJK-UHFFFAOYSA-N
MW491.64 g/mol
LogP6.25
Rot. Bonds3

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

1-(3-methyl-2-phenylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane] (PubChem CID 50939344) has the molecular formula C32H33N3O2 and a molecular weight of 491.64 g/mol. Its IUPAC name is 1-(3-methyl-2-phenylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane].

Molecular Properties

Compound Name1-(3-methyl-2-phenylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane]
PubChem CID50939344
Molecular FormulaC32H33N3O2
Molecular Weight491.64 g/mol
Exact Mass491.26
IUPAC Name1-(3-methyl-2-phenylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane]
SMILESCc1c(-c2ccccc2)nc2ccccc2c1N1CC2(CCOCC2)c2ccc(N3CCOCC3)cc21
InChIInChI=1S/C32H33N3O2/c1-23-30(24-7-3-2-4-8-24)33-28-10-6-5-9-26(28)31(23)35-22-32(13-17-36-18-14-32)27-12-11-25(21-29(27)35)34-15-19-37-20-16-34/h2-12,21H,13-20,22H2,1H3
InChIKeyOUANTMXZBCCPJK-UHFFFAOYSA-N
XLogP6.25
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.64
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-phenylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane]?
The IUPAC name of 1-(3-methyl-2-phenylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane] (CID 50939344) is 1-(3-methyl-2-phenylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane].
What is the SMILES notation for 1-(3-methyl-2-phenylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane]?
The canonical SMILES for 1-(3-methyl-2-phenylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane] is Cc1c(-c2ccccc2)nc2ccccc2c1N1CC2(CCOCC2)c2ccc(N3CCOCC3)cc21.
What is the InChIKey of 1-(3-methyl-2-phenylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane]?
The InChIKey is OUANTMXZBCCPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3O2/c1-23-30(24-7-3-2-4-8-24)33-28-10-6-5-9-26(28)31(23)35-22-32(13-17-36-18-14-32)27-12-11-25(21-29(27)35)34-15-19-37-20-16-34/h2-12,21H,13-20,22H2,1H3.
What are the key properties of 1-(3-methyl-2-phenylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane]?
1-(3-methyl-2-phenylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane] has a molecular weight of 491.64 g/mol, XLogP of 6.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-phenylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane] is sourced from PubChem (CID 50939344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).