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

C29H28FN3O2 — CID 155549517

IUPAC6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-(1-phenylethyl)quinoline-4-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccc(CN3CCOCC3)cc2)nc2ccc(F)cc12)c1ccccc1
InChIInChI=1S/C29H28FN3O2/c1-20(22-5-3-2-4-6-22)31-29(34)26-18-28(32-27-12-11-24(30)17-25(26)27)23-9-7-21(8-10-23)19-33-13-15-35-16-14-33/h2-12,17-18,20H,13-16,19H2,1H3,(H,31,34)
InChIKeyXHTMKPWQSUNYDU-UHFFFAOYSA-N
MW469.56 g/mol
LogP5.36
Rot. Bonds6

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

6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-(1-phenylethyl)quinoline-4-carboxamide (PubChem CID 155549517) has the molecular formula C29H28FN3O2 and a molecular weight of 469.56 g/mol. Its IUPAC name is 6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-(1-phenylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-(1-phenylethyl)quinoline-4-carboxamide
PubChem CID155549517
Molecular FormulaC29H28FN3O2
Molecular Weight469.56 g/mol
Exact Mass469.22
IUPAC Name6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-(1-phenylethyl)quinoline-4-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccc(CN3CCOCC3)cc2)nc2ccc(F)cc12)c1ccccc1
InChIInChI=1S/C29H28FN3O2/c1-20(22-5-3-2-4-6-22)31-29(34)26-18-28(32-27-12-11-24(30)17-25(26)27)23-9-7-21(8-10-23)19-33-13-15-35-16-14-33/h2-12,17-18,20H,13-16,19H2,1H3,(H,31,34)
InChIKeyXHTMKPWQSUNYDU-UHFFFAOYSA-N
XLogP5.36
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.56
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-piperidin-4-ylquinoline-4-carboxamide
CID 155559458
6-fluoro-N-(3-morpholin-4-ylpropyl)-2-phenylquinoline-4-carboxamide
CID 42750139
6-fluoro-N-(1-phenylethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 42750181
4-[[4-[6-fluoro-4-[(4-propylpiperazin-1-yl)methyl]quinolin-2-yl]phenyl]methyl]morpholine
CID 155532654
2-(4-fluorophenyl)-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide
CID 112761308
2-(4-fluorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 112799485
2-[4-[(1,1-dimethyl-1,4-thiazinan-4-yl)methyl]phenyl]-6-fluoro-N-(2-thiomorpholin-4-ylethyl)quinoline-4-carboxamide
CID 138554835
2-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4184624
3-(morpholin-4-ylmethyl)-2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 91406952
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 1354107
5-(morpholin-4-ylmethyl)-N-[(1R)-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 92725034
N-(1-benzylpiperidin-4-yl)-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide
CID 3479625

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-(1-phenylethyl)quinoline-4-carboxamide?
The IUPAC name of 6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-(1-phenylethyl)quinoline-4-carboxamide (CID 155549517) is 6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-(1-phenylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-(1-phenylethyl)quinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-(1-phenylethyl)quinoline-4-carboxamide is CC(NC(=O)c1cc(-c2ccc(CN3CCOCC3)cc2)nc2ccc(F)cc12)c1ccccc1.
What is the InChIKey of 6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-(1-phenylethyl)quinoline-4-carboxamide?
The InChIKey is XHTMKPWQSUNYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN3O2/c1-20(22-5-3-2-4-6-22)31-29(34)26-18-28(32-27-12-11-24(30)17-25(26)27)23-9-7-21(8-10-23)19-33-13-15-35-16-14-33/h2-12,17-18,20H,13-16,19H2,1H3,(H,31,34).
What are the key properties of 6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-(1-phenylethyl)quinoline-4-carboxamide?
6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-(1-phenylethyl)quinoline-4-carboxamide has a molecular weight of 469.56 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-(1-phenylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 155549517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).