1-[7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-yl]-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane]

C32H31F2N3O2 — CID 50939989

IUPAC1-[7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-yl]-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane]
SMILESCc1c(-c2ccccc2F)nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ccc(N3CCOCC3)cc21
InChIInChI=1S/C32H31F2N3O2/c1-21-30(24-4-2-3-5-27(24)34)35-28-18-22(33)6-8-25(28)31(21)37-20-32(10-14-38-15-11-32)26-9-7-23(19-29(26)37)36-12-16-39-17-13-36/h2-9,18-19H,10-17,20H2,1H3
InChIKeyUFRNQXCMTWEIET-UHFFFAOYSA-N
MW527.62 g/mol
LogP6.52
Rot. Bonds3

About 1-[7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-yl]-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane]

1-[7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-yl]-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane] (PubChem CID 50939989) has the molecular formula C32H31F2N3O2 and a molecular weight of 527.62 g/mol. Its IUPAC name is 1-[7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-yl]-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane].

Molecular Properties

Compound Name1-[7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-yl]-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane]
PubChem CID50939989
Molecular FormulaC32H31F2N3O2
Molecular Weight527.62 g/mol
Exact Mass527.24
IUPAC Name1-[7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-yl]-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane]
SMILESCc1c(-c2ccccc2F)nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ccc(N3CCOCC3)cc21
InChIInChI=1S/C32H31F2N3O2/c1-21-30(24-4-2-3-5-27(24)34)35-28-18-22(33)6-8-25(28)31(21)37-20-32(10-14-38-15-11-32)26-9-7-23(19-29(26)37)36-12-16-39-17-13-36/h2-9,18-19H,10-17,20H2,1H3
InChIKeyUFRNQXCMTWEIET-UHFFFAOYSA-N
XLogP6.52
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.62
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-yl]-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane]?
The IUPAC name of 1-[7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-yl]-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane] (CID 50939989) is 1-[7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-yl]-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane].
What is the SMILES notation for 1-[7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-yl]-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane]?
The canonical SMILES for 1-[7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-yl]-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane] is Cc1c(-c2ccccc2F)nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ccc(N3CCOCC3)cc21.
What is the InChIKey of 1-[7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-yl]-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane]?
The InChIKey is UFRNQXCMTWEIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31F2N3O2/c1-21-30(24-4-2-3-5-27(24)34)35-28-18-22(33)6-8-25(28)31(21)37-20-32(10-14-38-15-11-32)26-9-7-23(19-29(26)37)36-12-16-39-17-13-36/h2-9,18-19H,10-17,20H2,1H3.
What are the key properties of 1-[7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-yl]-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane]?
1-[7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-yl]-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane] has a molecular weight of 527.62 g/mol, XLogP of 6.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-yl]-6-morpholin-4-ylspiro[2H-indole-3,4'-oxane] is sourced from PubChem (CID 50939989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).