1-[7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]

C31H32FN5O2 — CID 67284609

IUPAC1-[7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]
SMILESCc1ccnc(-c2nc3cc(F)ccc3c(N3CC4(CCOCC4)c4ncc(N5CCOCC5)cc43)c2C)c1
InChIInChI=1S/C31H32FN5O2/c1-20-5-8-33-26(15-20)28-21(2)29(24-4-3-22(32)16-25(24)35-28)37-19-31(6-11-38-12-7-31)30-27(37)17-23(18-34-30)36-9-13-39-14-10-36/h3-5,8,15-18H,6-7,9-14,19H2,1-2H3
InChIKeyFKLXHNZPRITZEX-UHFFFAOYSA-N
MW525.63 g/mol
LogP5.48
Rot. Bonds3

About 1-[7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]

1-[7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane] (PubChem CID 67284609) has the molecular formula C31H32FN5O2 and a molecular weight of 525.63 g/mol. Its IUPAC name is 1-[7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane].

Molecular Properties

Compound Name1-[7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]
PubChem CID67284609
Molecular FormulaC31H32FN5O2
Molecular Weight525.63 g/mol
Exact Mass525.25
IUPAC Name1-[7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]
SMILESCc1ccnc(-c2nc3cc(F)ccc3c(N3CC4(CCOCC4)c4ncc(N5CCOCC5)cc43)c2C)c1
InChIInChI=1S/C31H32FN5O2/c1-20-5-8-33-26(15-20)28-21(2)29(24-4-3-22(32)16-25(24)35-28)37-19-31(6-11-38-12-7-31)30-27(37)17-23(18-34-30)36-9-13-39-14-10-36/h3-5,8,15-18H,6-7,9-14,19H2,1-2H3
InChIKeyFKLXHNZPRITZEX-UHFFFAOYSA-N
XLogP5.48
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.63
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]?
The IUPAC name of 1-[7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane] (CID 67284609) is 1-[7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane].
What is the SMILES notation for 1-[7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]?
The canonical SMILES for 1-[7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane] is Cc1ccnc(-c2nc3cc(F)ccc3c(N3CC4(CCOCC4)c4ncc(N5CCOCC5)cc43)c2C)c1.
What is the InChIKey of 1-[7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]?
The InChIKey is FKLXHNZPRITZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32FN5O2/c1-20-5-8-33-26(15-20)28-21(2)29(24-4-3-22(32)16-25(24)35-28)37-19-31(6-11-38-12-7-31)30-27(37)17-23(18-34-30)36-9-13-39-14-10-36/h3-5,8,15-18H,6-7,9-14,19H2,1-2H3.
What are the key properties of 1-[7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]?
1-[7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane] has a molecular weight of 525.63 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane] is sourced from PubChem (CID 67284609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).