6-fluoro-2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide

C27H30F2N4O2 — CID 71767101

IUPAC6-fluoro-2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
SMILESO=C(NCCN1CCCC1)c1cc(-c2ccc(CN3CCOCC3)c(F)c2)nc2ccc(F)cc12
InChIInChI=1S/C27H30F2N4O2/c28-21-5-6-25-22(16-21)23(27(34)30-7-10-32-8-1-2-9-32)17-26(31-25)19-3-4-20(24(29)15-19)18-33-11-13-35-14-12-33/h3-6,15-17H,1-2,7-14,18H2,(H,30,34)
InChIKeyHFOHLNUEPYTEJS-UHFFFAOYSA-N
MW480.56 g/mol
LogP3.84
Rot. Bonds7

About 6-fluoro-2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide

6-fluoro-2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide (PubChem CID 71767101) has the molecular formula C27H30F2N4O2 and a molecular weight of 480.56 g/mol. Its IUPAC name is 6-fluoro-2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
PubChem CID71767101
Molecular FormulaC27H30F2N4O2
Molecular Weight480.56 g/mol
Exact Mass480.23
IUPAC Name6-fluoro-2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
SMILESO=C(NCCN1CCCC1)c1cc(-c2ccc(CN3CCOCC3)c(F)c2)nc2ccc(F)cc12
InChIInChI=1S/C27H30F2N4O2/c28-21-5-6-25-22(16-21)23(27(34)30-7-10-32-8-1-2-9-32)17-26(31-25)19-3-4-20(24(29)15-19)18-33-11-13-35-14-12-33/h3-6,15-17H,1-2,7-14,18H2,(H,30,34)
InChIKeyHFOHLNUEPYTEJS-UHFFFAOYSA-N
XLogP3.84
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
The IUPAC name of 6-fluoro-2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide (CID 71767101) is 6-fluoro-2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide is O=C(NCCN1CCCC1)c1cc(-c2ccc(CN3CCOCC3)c(F)c2)nc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
The InChIKey is HFOHLNUEPYTEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F2N4O2/c28-21-5-6-25-22(16-21)23(27(34)30-7-10-32-8-1-2-9-32)17-26(31-25)19-3-4-20(24(29)15-19)18-33-11-13-35-14-12-33/h3-6,15-17H,1-2,7-14,18H2,(H,30,34).
What are the key properties of 6-fluoro-2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
6-fluoro-2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide has a molecular weight of 480.56 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 71767101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).