4-[(6-fluoroquinolin-4-yl)amino]-N-methyl-N-[3-[methyl(pyridin-4-yl)amino]phenyl]benzamide

C29H24FN5O — CID 170228485

IUPAC4-[(6-fluoroquinolin-4-yl)amino]-N-methyl-N-[3-[methyl(pyridin-4-yl)amino]phenyl]benzamide
SMILESCN(C(=O)c1ccc(Nc2ccnc3ccc(F)cc23)cc1)c1cccc(N(C)c2ccncc2)c1
InChIInChI=1S/C29H24FN5O/c1-34(23-12-15-31-16-13-23)24-4-3-5-25(19-24)35(2)29(36)20-6-9-22(10-7-20)33-28-14-17-32-27-11-8-21(30)18-26(27)28/h3-19H,1-2H3,(H,32,33)
InChIKeyMSKQNAZLEQGYRA-UHFFFAOYSA-N
MW477.54 g/mol
LogP6.56
Rot. Bonds6

About 4-[(6-fluoroquinolin-4-yl)amino]-N-methyl-N-[3-[methyl(pyridin-4-yl)amino]phenyl]benzamide

4-[(6-fluoroquinolin-4-yl)amino]-N-methyl-N-[3-[methyl(pyridin-4-yl)amino]phenyl]benzamide (PubChem CID 170228485) has the molecular formula C29H24FN5O and a molecular weight of 477.54 g/mol. Its IUPAC name is 4-[(6-fluoroquinolin-4-yl)amino]-N-methyl-N-[3-[methyl(pyridin-4-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-[(6-fluoroquinolin-4-yl)amino]-N-methyl-N-[3-[methyl(pyridin-4-yl)amino]phenyl]benzamide
PubChem CID170228485
Molecular FormulaC29H24FN5O
Molecular Weight477.54 g/mol
Exact Mass477.20
IUPAC Name4-[(6-fluoroquinolin-4-yl)amino]-N-methyl-N-[3-[methyl(pyridin-4-yl)amino]phenyl]benzamide
SMILESCN(C(=O)c1ccc(Nc2ccnc3ccc(F)cc23)cc1)c1cccc(N(C)c2ccncc2)c1
InChIInChI=1S/C29H24FN5O/c1-34(23-12-15-31-16-13-23)24-4-3-5-25(19-24)35(2)29(36)20-6-9-22(10-7-20)33-28-14-17-32-27-11-8-21(30)18-26(27)28/h3-19H,1-2H3,(H,32,33)
InChIKeyMSKQNAZLEQGYRA-UHFFFAOYSA-N
XLogP6.56
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.54
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(6-fluoroquinolin-4-yl)amino]-N-methyl-N-(3-pyridin-4-yloxyphenyl)benzamide
CID 170228480
ethyl 4-[(6-fluoroquinolin-4-yl)amino]benzoate
CID 39850527
4-[(6-fluoroquinolin-4-yl)amino]-N-[6-(pyridin-4-ylamino)-3-pyridinyl]benzamide
CID 157044112
3-[(6-fluoroquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
CID 157042860
4-fluoro-3-[(6-fluoroquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 157042717
N-methyl-N-[3-(N-methylanilino)phenyl]benzamide
CID 129066255
3-[(6-fluoroquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 166833012
N-[3-(1-bicyclo[1.1.1]pentanylamino)phenyl]-4-[(6-fluoroquinolin-4-yl)amino]benzamide
CID 157043545
methyl 3-[(6-fluoroquinolin-4-yl)amino]-4-methylbenzoate
CID 157042958
N-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-3-(pyridin-4-ylamino)benzenesulfonamide
CID 157043714
4-[(7-fluoroquinolin-4-yl)amino]benzoic acid
CID 54773030
N-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzenesulfonamide
CID 157043932

Frequently Asked Questions

What is the IUPAC name of 4-[(6-fluoroquinolin-4-yl)amino]-N-methyl-N-[3-[methyl(pyridin-4-yl)amino]phenyl]benzamide?
The IUPAC name of 4-[(6-fluoroquinolin-4-yl)amino]-N-methyl-N-[3-[methyl(pyridin-4-yl)amino]phenyl]benzamide (CID 170228485) is 4-[(6-fluoroquinolin-4-yl)amino]-N-methyl-N-[3-[methyl(pyridin-4-yl)amino]phenyl]benzamide.
What is the SMILES notation for 4-[(6-fluoroquinolin-4-yl)amino]-N-methyl-N-[3-[methyl(pyridin-4-yl)amino]phenyl]benzamide?
The canonical SMILES for 4-[(6-fluoroquinolin-4-yl)amino]-N-methyl-N-[3-[methyl(pyridin-4-yl)amino]phenyl]benzamide is CN(C(=O)c1ccc(Nc2ccnc3ccc(F)cc23)cc1)c1cccc(N(C)c2ccncc2)c1.
What is the InChIKey of 4-[(6-fluoroquinolin-4-yl)amino]-N-methyl-N-[3-[methyl(pyridin-4-yl)amino]phenyl]benzamide?
The InChIKey is MSKQNAZLEQGYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN5O/c1-34(23-12-15-31-16-13-23)24-4-3-5-25(19-24)35(2)29(36)20-6-9-22(10-7-20)33-28-14-17-32-27-11-8-21(30)18-26(27)28/h3-19H,1-2H3,(H,32,33).
What are the key properties of 4-[(6-fluoroquinolin-4-yl)amino]-N-methyl-N-[3-[methyl(pyridin-4-yl)amino]phenyl]benzamide?
4-[(6-fluoroquinolin-4-yl)amino]-N-methyl-N-[3-[methyl(pyridin-4-yl)amino]phenyl]benzamide has a molecular weight of 477.54 g/mol, XLogP of 6.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoroquinolin-4-yl)amino]-N-methyl-N-[3-[methyl(pyridin-4-yl)amino]phenyl]benzamide is sourced from PubChem (CID 170228485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).