6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-piperidin-4-ylquinoline-4-carboxamide

C26H29FN4O2 — CID 155559458

IUPAC6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-piperidin-4-ylquinoline-4-carboxamide
SMILESO=C(NC1CCNCC1)c1cc(-c2ccc(CN3CCOCC3)cc2)nc2ccc(F)cc12
InChIInChI=1S/C26H29FN4O2/c27-20-5-6-24-22(15-20)23(26(32)29-21-7-9-28-10-8-21)16-25(30-24)19-3-1-18(2-4-19)17-31-11-13-33-14-12-31/h1-6,15-16,21,28H,7-14,17H2,(H,29,32)
InChIKeyUNZTZXPXGDBXPX-UHFFFAOYSA-N
MW448.54 g/mol
LogP3.35
Rot. Bonds5

About 6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-piperidin-4-ylquinoline-4-carboxamide

6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-piperidin-4-ylquinoline-4-carboxamide (PubChem CID 155559458) has the molecular formula C26H29FN4O2 and a molecular weight of 448.54 g/mol. Its IUPAC name is 6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-piperidin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-piperidin-4-ylquinoline-4-carboxamide
PubChem CID155559458
Molecular FormulaC26H29FN4O2
Molecular Weight448.54 g/mol
Exact Mass448.23
IUPAC Name6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-piperidin-4-ylquinoline-4-carboxamide
SMILESO=C(NC1CCNCC1)c1cc(-c2ccc(CN3CCOCC3)cc2)nc2ccc(F)cc12
InChIInChI=1S/C26H29FN4O2/c27-20-5-6-24-22(15-20)23(26(32)29-21-7-9-28-10-8-21)16-25(30-24)19-3-1-18(2-4-19)17-31-11-13-33-14-12-31/h1-6,15-16,21,28H,7-14,17H2,(H,29,32)
InChIKeyUNZTZXPXGDBXPX-UHFFFAOYSA-N
XLogP3.35
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-(1-phenylethyl)quinoline-4-carboxamide
CID 155549517
N-(1-benzylpiperidin-4-yl)-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide
CID 3479625
6-fluoro-N-(3-morpholin-4-ylpropyl)-2-phenylquinoline-4-carboxamide
CID 42750139
2-[4-[(1,1-dimethyl-1,4-thiazinan-4-yl)methyl]phenyl]-6-fluoro-N-(2-thiomorpholin-4-ylethyl)quinoline-4-carboxamide
CID 138554835
4-[[4-[6-fluoro-4-[(4-propylpiperazin-1-yl)methyl]quinolin-2-yl]phenyl]methyl]morpholine
CID 155532654
N-cyclohexyl-2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carboxamide
CID 42750152
N-(1-benzylpiperidin-4-yl)-7-chloro-2-phenylquinoline-4-carboxamide
CID 86272150
N-piperidin-4-yl-2-pyridin-4-ylquinoline-4-carboxamide
CID 119388190
2-(4-fluorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 112799485
6-[4-(morpholin-4-ylmethyl)phenyl]-N-(piperidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 164618470
N-(4-aminocyclohexyl)-2-(4-fluorophenyl)quinoline-4-carboxamide;dihydrochloride
CID 119476850
2-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4184624

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-piperidin-4-ylquinoline-4-carboxamide?
The IUPAC name of 6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-piperidin-4-ylquinoline-4-carboxamide (CID 155559458) is 6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-piperidin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-piperidin-4-ylquinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-piperidin-4-ylquinoline-4-carboxamide is O=C(NC1CCNCC1)c1cc(-c2ccc(CN3CCOCC3)cc2)nc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-piperidin-4-ylquinoline-4-carboxamide?
The InChIKey is UNZTZXPXGDBXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O2/c27-20-5-6-24-22(15-20)23(26(32)29-21-7-9-28-10-8-21)16-25(30-24)19-3-1-18(2-4-19)17-31-11-13-33-14-12-31/h1-6,15-16,21,28H,7-14,17H2,(H,29,32).
What are the key properties of 6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-piperidin-4-ylquinoline-4-carboxamide?
6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-piperidin-4-ylquinoline-4-carboxamide has a molecular weight of 448.54 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-piperidin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 155559458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).