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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Biriperone
CID 68663
Cabamiquine
CID 71748268
3-fluoro-5-(morpholin-4-yl)-N-(3-(2-(pyridin-4-yl)ethyl)-1H-indol-5-yl)benzamide
CID 5326868
2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 2849628
N-[(2S)-1-[(4R)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]propan-2-yl]quinoline-3-carboxamide
CID 50902705
N-[(1S)-1-cyclohexylethyl]-2-phenyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline-4-carboxamide
CID 9872857
3-(4-Morpholin-4-yl-piperidin-1-ylmethyl)-2-phenyl-quinoline-4-carboxylic acid (1-cyclohexyl-ethyl)-amide
CID 10370066
(4-isopropylpiperazin-1-yl)(3-(morpholinomethyl)-1H-indol-6-yl)methanone
CID 24783527
[3,5-bis(trifluoromethyl)phenyl]-[(2R)-2-(1H-indol-3-ylmethyl)-4-[(2Z)-2-(2-morpholin-4-ylethoxyimino)ethyl]piperazin-1-yl]methanone
CID 44407971
(3S,4S)-N-hydroxy-4-(4-((2-methylquinolin-4-yl)methyl)benzamido)pyrrolidine-3-carboxamide
CID 44431843
(3S,4S)-1-(but-2-ynyl)-N-hydroxy-4-(4-((2-methylquinolin-4-yl)methyl)benzamido)pyrrolidine-3-carboxamide
CID 44431848
2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-6-fluoro-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 71767252

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).