N-(3-anilinophenyl)-3-[(6-cyanoquinolin-4-yl)amino]-5-fluorobenzamide

C29H20FN5O — CID 170001829

IUPACN-(3-anilinophenyl)-3-[(6-cyanoquinolin-4-yl)amino]-5-fluorobenzamide
SMILESN#Cc1ccc2nccc(Nc3cc(F)cc(C(=O)Nc4cccc(Nc5ccccc5)c4)c3)c2c1
InChIInChI=1S/C29H20FN5O/c30-21-14-20(29(36)35-24-8-4-7-23(17-24)33-22-5-2-1-3-6-22)15-25(16-21)34-28-11-12-32-27-10-9-19(18-31)13-26(27)28/h1-17,33H,(H,32,34)(H,35,36)
InChIKeyRIJPTSJDNIVQMI-UHFFFAOYSA-N
MW473.51 g/mol
LogP6.99
Rot. Bonds6

About N-(3-anilinophenyl)-3-[(6-cyanoquinolin-4-yl)amino]-5-fluorobenzamide

N-(3-anilinophenyl)-3-[(6-cyanoquinolin-4-yl)amino]-5-fluorobenzamide (PubChem CID 170001829) has the molecular formula C29H20FN5O and a molecular weight of 473.51 g/mol. Its IUPAC name is N-(3-anilinophenyl)-3-[(6-cyanoquinolin-4-yl)amino]-5-fluorobenzamide.

Molecular Properties

Compound NameN-(3-anilinophenyl)-3-[(6-cyanoquinolin-4-yl)amino]-5-fluorobenzamide
PubChem CID170001829
Molecular FormulaC29H20FN5O
Molecular Weight473.51 g/mol
Exact Mass473.17
IUPAC NameN-(3-anilinophenyl)-3-[(6-cyanoquinolin-4-yl)amino]-5-fluorobenzamide
SMILESN#Cc1ccc2nccc(Nc3cc(F)cc(C(=O)Nc4cccc(Nc5ccccc5)c4)c3)c2c1
InChIInChI=1S/C29H20FN5O/c30-21-14-20(29(36)35-24-8-4-7-23(17-24)33-22-5-2-1-3-6-22)15-25(16-21)34-28-11-12-32-27-10-9-19(18-31)13-26(27)28/h1-17,33H,(H,32,34)(H,35,36)
InChIKeyRIJPTSJDNIVQMI-UHFFFAOYSA-N
XLogP6.99
TPSA89.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.51
LogP ≤ 56.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-anilino-5-fluorophenyl)-3-[(6-fluoroquinolin-4-yl)amino]benzamide
CID 170001867
N-(3-anilinophenyl)-3-[(6-fluoroquinolin-4-yl)amino]-5-methylbenzamide
CID 170001843
4-[(6-cyanoquinolin-4-yl)amino]-3-methyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 157043367
N-[4-[(6-cyanoquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide
CID 157044000
3-[(6-cyanoquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
CID 157043187
4-[(6-cyanoquinolin-4-yl)amino]-N-[3-phosphanyl-5-(pyridin-4-ylamino)phenyl]benzamide
CID 170232036
3-[(6-cyanoquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide
CID 157042727
N-[3-(pyridin-4-ylamino)phenyl]-3-[[6-(3,3,3-trifluoroprop-1-ynyl)quinolin-4-yl]amino]benzamide
CID 157042964
6-[(6-cyanoquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide
CID 157042999
N-[3-[[1-(amino-methyl-oxo-λ6-sulfanylidene)azetidin-1-ium-3-yl]amino]phenyl]-3-[(6-cyanoquinolin-4-yl)amino]benzamide
CID 170018733
3-[(6-ethynylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide
CID 163915964
4-[(6-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-2-ylamino)phenyl]benzamide
CID 170005617

Frequently Asked Questions

What is the IUPAC name of N-(3-anilinophenyl)-3-[(6-cyanoquinolin-4-yl)amino]-5-fluorobenzamide?
The IUPAC name of N-(3-anilinophenyl)-3-[(6-cyanoquinolin-4-yl)amino]-5-fluorobenzamide (CID 170001829) is N-(3-anilinophenyl)-3-[(6-cyanoquinolin-4-yl)amino]-5-fluorobenzamide.
What is the SMILES notation for N-(3-anilinophenyl)-3-[(6-cyanoquinolin-4-yl)amino]-5-fluorobenzamide?
The canonical SMILES for N-(3-anilinophenyl)-3-[(6-cyanoquinolin-4-yl)amino]-5-fluorobenzamide is N#Cc1ccc2nccc(Nc3cc(F)cc(C(=O)Nc4cccc(Nc5ccccc5)c4)c3)c2c1.
What is the InChIKey of N-(3-anilinophenyl)-3-[(6-cyanoquinolin-4-yl)amino]-5-fluorobenzamide?
The InChIKey is RIJPTSJDNIVQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20FN5O/c30-21-14-20(29(36)35-24-8-4-7-23(17-24)33-22-5-2-1-3-6-22)15-25(16-21)34-28-11-12-32-27-10-9-19(18-31)13-26(27)28/h1-17,33H,(H,32,34)(H,35,36).
What are the key properties of N-(3-anilinophenyl)-3-[(6-cyanoquinolin-4-yl)amino]-5-fluorobenzamide?
N-(3-anilinophenyl)-3-[(6-cyanoquinolin-4-yl)amino]-5-fluorobenzamide has a molecular weight of 473.51 g/mol, XLogP of 6.99, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilinophenyl)-3-[(6-cyanoquinolin-4-yl)amino]-5-fluorobenzamide is sourced from PubChem (CID 170001829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).