N-(3-anilinophenyl)-3-[(6-fluoroquinolin-4-yl)amino]-5-methylbenzamide

C29H23FN4O — CID 170001843

IUPACN-(3-anilinophenyl)-3-[(6-fluoroquinolin-4-yl)amino]-5-methylbenzamide
SMILESCc1cc(Nc2ccnc3ccc(F)cc23)cc(C(=O)Nc2cccc(Nc3ccccc3)c2)c1
InChIInChI=1S/C29H23FN4O/c1-19-14-20(16-25(15-19)33-28-12-13-31-27-11-10-21(30)17-26(27)28)29(35)34-24-9-5-8-23(18-24)32-22-6-3-2-4-7-22/h2-18,32H,1H3,(H,31,33)(H,34,35)
InChIKeyTUCSQJSREWLXEZ-UHFFFAOYSA-N
MW462.53 g/mol
LogP7.42
Rot. Bonds6

About N-(3-anilinophenyl)-3-[(6-fluoroquinolin-4-yl)amino]-5-methylbenzamide

N-(3-anilinophenyl)-3-[(6-fluoroquinolin-4-yl)amino]-5-methylbenzamide (PubChem CID 170001843) has the molecular formula C29H23FN4O and a molecular weight of 462.53 g/mol. Its IUPAC name is N-(3-anilinophenyl)-3-[(6-fluoroquinolin-4-yl)amino]-5-methylbenzamide.

Molecular Properties

Compound NameN-(3-anilinophenyl)-3-[(6-fluoroquinolin-4-yl)amino]-5-methylbenzamide
PubChem CID170001843
Molecular FormulaC29H23FN4O
Molecular Weight462.53 g/mol
Exact Mass462.19
IUPAC NameN-(3-anilinophenyl)-3-[(6-fluoroquinolin-4-yl)amino]-5-methylbenzamide
SMILESCc1cc(Nc2ccnc3ccc(F)cc23)cc(C(=O)Nc2cccc(Nc3ccccc3)c2)c1
InChIInChI=1S/C29H23FN4O/c1-19-14-20(16-25(15-19)33-28-12-13-31-27-11-10-21(30)17-26(27)28)29(35)34-24-9-5-8-23(18-24)32-22-6-3-2-4-7-22/h2-18,32H,1H3,(H,31,33)(H,34,35)
InChIKeyTUCSQJSREWLXEZ-UHFFFAOYSA-N
XLogP7.42
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.53
LogP ≤ 57.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-anilino-5-fluorophenyl)-3-[(6-fluoroquinolin-4-yl)amino]benzamide
CID 170001867
3-[(6-fluoroquinolin-4-yl)amino]-N-[3-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 166834800
N-(3-anilinophenyl)-3-[(6-fluoroquinolin-4-yl)amino]-2-methylbenzamide
CID 170001846
3-[(6-fluoroquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 166833012
N-(3-anilinophenyl)-3-[(6-cyanoquinolin-4-yl)amino]-5-fluorobenzamide
CID 170001829
4-fluoro-3-[(6-fluoroquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 157042717
3-anilino-N-[3-[(6-methoxyquinolin-4-yl)amino]phenyl]benzamide
CID 170001905
3-[(6-fluoroquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
CID 157042860
3-[(6-fluoroquinolin-4-yl)amino]-N-[3-(piperidin-4-ylamino)phenyl]benzamide
CID 166834688
N-(3-anilinophenyl)-3-(6-fluoroquinolin-4-yl)oxybenzamide
CID 170001772
N-[3-(1-bicyclo[1.1.1]pentanylamino)phenyl]-4-[(6-fluoroquinolin-4-yl)amino]benzamide
CID 157043545
4-[(6-methylquinolin-4-yl)amino]-3-phosphanyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 170225894

Frequently Asked Questions

What is the IUPAC name of N-(3-anilinophenyl)-3-[(6-fluoroquinolin-4-yl)amino]-5-methylbenzamide?
The IUPAC name of N-(3-anilinophenyl)-3-[(6-fluoroquinolin-4-yl)amino]-5-methylbenzamide (CID 170001843) is N-(3-anilinophenyl)-3-[(6-fluoroquinolin-4-yl)amino]-5-methylbenzamide.
What is the SMILES notation for N-(3-anilinophenyl)-3-[(6-fluoroquinolin-4-yl)amino]-5-methylbenzamide?
The canonical SMILES for N-(3-anilinophenyl)-3-[(6-fluoroquinolin-4-yl)amino]-5-methylbenzamide is Cc1cc(Nc2ccnc3ccc(F)cc23)cc(C(=O)Nc2cccc(Nc3ccccc3)c2)c1.
What is the InChIKey of N-(3-anilinophenyl)-3-[(6-fluoroquinolin-4-yl)amino]-5-methylbenzamide?
The InChIKey is TUCSQJSREWLXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23FN4O/c1-19-14-20(16-25(15-19)33-28-12-13-31-27-11-10-21(30)17-26(27)28)29(35)34-24-9-5-8-23(18-24)32-22-6-3-2-4-7-22/h2-18,32H,1H3,(H,31,33)(H,34,35).
What are the key properties of N-(3-anilinophenyl)-3-[(6-fluoroquinolin-4-yl)amino]-5-methylbenzamide?
N-(3-anilinophenyl)-3-[(6-fluoroquinolin-4-yl)amino]-5-methylbenzamide has a molecular weight of 462.53 g/mol, XLogP of 7.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilinophenyl)-3-[(6-fluoroquinolin-4-yl)amino]-5-methylbenzamide is sourced from PubChem (CID 170001843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).