7-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylquinoline-4-carboxamide

C24H24F2N4O3 — CID 55784588

IUPAC7-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)c2ccc(F)cc2n1
InChIInChI=1S/C24H24F2N4O3/c1-15-12-19(18-4-2-16(25)13-21(18)27-15)24(32)28-17-3-5-20(26)22(14-17)29-23(31)6-7-30-8-10-33-11-9-30/h2-5,12-14H,6-11H2,1H3,(H,28,32)(H,29,31)
InChIKeyCPWWKBHZYZIBJL-UHFFFAOYSA-N
MW454.48 g/mol
LogP3.73
Rot. Bonds6

About 7-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylquinoline-4-carboxamide

7-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylquinoline-4-carboxamide (PubChem CID 55784588) has the molecular formula C24H24F2N4O3 and a molecular weight of 454.48 g/mol. Its IUPAC name is 7-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylquinoline-4-carboxamide
PubChem CID55784588
Molecular FormulaC24H24F2N4O3
Molecular Weight454.48 g/mol
Exact Mass454.18
IUPAC Name7-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)c2ccc(F)cc2n1
InChIInChI=1S/C24H24F2N4O3/c1-15-12-19(18-4-2-16(25)13-21(18)27-15)24(32)28-17-3-5-20(26)22(14-17)29-23(31)6-7-30-8-10-33-11-9-30/h2-5,12-14H,6-11H2,1H3,(H,28,32)(H,29,31)
InChIKeyCPWWKBHZYZIBJL-UHFFFAOYSA-N
XLogP3.73
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]propanamide
CID 119849282
4-bromo-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylfuran-3-carboxamide
CID 55784620
1-cyclohexyl-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide
CID 60554945
N-[2-fluoro-5-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]-3-morpholin-4-ylpropanamide
CID 55785751
(2S)-2-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-methylpentanamide
CID 119849290
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 60554946
6-fluoro-2-methyl-N-(4-morpholin-4-ylphenyl)quinoline-4-carboxamide
CID 108802559
2-cyano-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylpropanamide
CID 60530456
(2S)-2-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119849257
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55784520
5-(tert-butylsulfamoyl)-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]furan-2-carboxamide
CID 55784871
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 60555157

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylquinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylquinoline-4-carboxamide (CID 55784588) is 7-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylquinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)c2ccc(F)cc2n1.
What is the InChIKey of 7-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylquinoline-4-carboxamide?
The InChIKey is CPWWKBHZYZIBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O3/c1-15-12-19(18-4-2-16(25)13-21(18)27-15)24(32)28-17-3-5-20(26)22(14-17)29-23(31)6-7-30-8-10-33-11-9-30/h2-5,12-14H,6-11H2,1H3,(H,28,32)(H,29,31).
What are the key properties of 7-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylquinoline-4-carboxamide?
7-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylquinoline-4-carboxamide has a molecular weight of 454.48 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 55784588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).