6-fluoro-2-methyl-N-(4-morpholin-4-ylphenyl)quinoline-4-carboxamide

C21H20FN3O2 — CID 108802559

IUPAC6-fluoro-2-methyl-N-(4-morpholin-4-ylphenyl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)c2cc(F)ccc2n1
InChIInChI=1S/C21H20FN3O2/c1-14-12-19(18-13-15(22)2-7-20(18)23-14)21(26)24-16-3-5-17(6-4-16)25-8-10-27-11-9-25/h2-7,12-13H,8-11H2,1H3,(H,24,26)
InChIKeyRMEHBHPDYHQMOI-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.77
Rot. Bonds3

About 6-fluoro-2-methyl-N-(4-morpholin-4-ylphenyl)quinoline-4-carboxamide

6-fluoro-2-methyl-N-(4-morpholin-4-ylphenyl)quinoline-4-carboxamide (PubChem CID 108802559) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 6-fluoro-2-methyl-N-(4-morpholin-4-ylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-methyl-N-(4-morpholin-4-ylphenyl)quinoline-4-carboxamide
PubChem CID108802559
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name6-fluoro-2-methyl-N-(4-morpholin-4-ylphenyl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)c2cc(F)ccc2n1
InChIInChI=1S/C21H20FN3O2/c1-14-12-19(18-13-15(22)2-7-20(18)23-14)21(26)24-16-3-5-17(6-4-16)25-8-10-27-11-9-25/h2-7,12-13H,8-11H2,1H3,(H,24,26)
InChIKeyRMEHBHPDYHQMOI-UHFFFAOYSA-N
XLogP3.77
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide
CID 108802533
6-fluoro-2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-4-carboxamide
CID 108802554
6-fluoro-N-(3-hydroxyphenyl)-2-methylquinoline-4-carboxamide
CID 108789542
3-[[4-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzoyl]amino]propanoic acid
CID 108802578
dimethyl 5-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate
CID 4732272
2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]-5-iodobenzoic acid
CID 108789589
N-(4-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324278
5-bromo-2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzoic acid
CID 108789645
2-(ethylamino)-N-(4-morpholin-4-ylphenyl)quinoline-4-carboxamide
CID 117089575
7-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylquinoline-4-carboxamide
CID 55784588
6-fluoro-2-methyl-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4732250
butyl 4-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzoate
CID 108802532

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-N-(4-morpholin-4-ylphenyl)quinoline-4-carboxamide?
The IUPAC name of 6-fluoro-2-methyl-N-(4-morpholin-4-ylphenyl)quinoline-4-carboxamide (CID 108802559) is 6-fluoro-2-methyl-N-(4-morpholin-4-ylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-2-methyl-N-(4-morpholin-4-ylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-2-methyl-N-(4-morpholin-4-ylphenyl)quinoline-4-carboxamide is Cc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)c2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-2-methyl-N-(4-morpholin-4-ylphenyl)quinoline-4-carboxamide?
The InChIKey is RMEHBHPDYHQMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-14-12-19(18-13-15(22)2-7-20(18)23-14)21(26)24-16-3-5-17(6-4-16)25-8-10-27-11-9-25/h2-7,12-13H,8-11H2,1H3,(H,24,26).
What are the key properties of 6-fluoro-2-methyl-N-(4-morpholin-4-ylphenyl)quinoline-4-carboxamide?
6-fluoro-2-methyl-N-(4-morpholin-4-ylphenyl)quinoline-4-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-N-(4-morpholin-4-ylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 108802559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).