3-anilino-N-[3-[(6-methoxyquinolin-4-yl)amino]phenyl]benzamide

C29H24N4O2 — CID 170001905

IUPAC3-anilino-N-[3-[(6-methoxyquinolin-4-yl)amino]phenyl]benzamide
SMILESCOc1ccc2nccc(Nc3cccc(NC(=O)c4cccc(Nc5ccccc5)c4)c3)c2c1
InChIInChI=1S/C29H24N4O2/c1-35-25-13-14-27-26(19-25)28(15-16-30-27)32-23-11-6-12-24(18-23)33-29(34)20-7-5-10-22(17-20)31-21-8-3-2-4-9-21/h2-19,31H,1H3,(H,30,32)(H,33,34)
InChIKeyUVHVFSHFNAZQEQ-UHFFFAOYSA-N
MW460.54 g/mol
LogP6.98
Rot. Bonds7

About 3-anilino-N-[3-[(6-methoxyquinolin-4-yl)amino]phenyl]benzamide

3-anilino-N-[3-[(6-methoxyquinolin-4-yl)amino]phenyl]benzamide (PubChem CID 170001905) has the molecular formula C29H24N4O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 3-anilino-N-[3-[(6-methoxyquinolin-4-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3-anilino-N-[3-[(6-methoxyquinolin-4-yl)amino]phenyl]benzamide
PubChem CID170001905
Molecular FormulaC29H24N4O2
Molecular Weight460.54 g/mol
Exact Mass460.19
IUPAC Name3-anilino-N-[3-[(6-methoxyquinolin-4-yl)amino]phenyl]benzamide
SMILESCOc1ccc2nccc(Nc3cccc(NC(=O)c4cccc(Nc5ccccc5)c4)c3)c2c1
InChIInChI=1S/C29H24N4O2/c1-35-25-13-14-27-26(19-25)28(15-16-30-27)32-23-11-6-12-24(18-23)33-29(34)20-7-5-10-22(17-20)31-21-8-3-2-4-9-21/h2-19,31H,1H3,(H,30,32)(H,33,34)
InChIKeyUVHVFSHFNAZQEQ-UHFFFAOYSA-N
XLogP6.98
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.54
LogP ≤ 56.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-anilino-N-[3-[(6-methoxyquinolin-4-yl)amino]phenyl]benzamide with MolForge

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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
N-(4-pyridin-4-yloxyphenyl)-3-(quinolin-4-ylamino)benzamide
CID 166832857
3-[(6-fluoroquinolin-4-yl)amino]-N-[3-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 166834800
3-[(1-methylpyridin-1-ium-4-yl)amino]-N-[4-(quinolin-4-ylamino)phenyl]benzamide
CID 24858115
3-[(6-fluoroquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
CID 157042860
N-(3-anilinophenyl)-3-[(6-cyanoquinolin-4-yl)amino]-5-fluorobenzamide
CID 170001829
3-[(6-fluoroquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 166833012
3-[(6-ethynylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide
CID 163915964
4-[(6-ethylquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 170225786
N-[3-(pyridin-4-ylamino)phenyl]-3-[[6-(3,3,3-trifluoroprop-1-ynyl)quinolin-4-yl]amino]benzamide
CID 157042964
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 3-anilino-N-[3-[(6-methoxyquinolin-4-yl)amino]phenyl]benzamide?
The IUPAC name of 3-anilino-N-[3-[(6-methoxyquinolin-4-yl)amino]phenyl]benzamide (CID 170001905) is 3-anilino-N-[3-[(6-methoxyquinolin-4-yl)amino]phenyl]benzamide.
What is the SMILES notation for 3-anilino-N-[3-[(6-methoxyquinolin-4-yl)amino]phenyl]benzamide?
The canonical SMILES for 3-anilino-N-[3-[(6-methoxyquinolin-4-yl)amino]phenyl]benzamide is COc1ccc2nccc(Nc3cccc(NC(=O)c4cccc(Nc5ccccc5)c4)c3)c2c1.
What is the InChIKey of 3-anilino-N-[3-[(6-methoxyquinolin-4-yl)amino]phenyl]benzamide?
The InChIKey is UVHVFSHFNAZQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O2/c1-35-25-13-14-27-26(19-25)28(15-16-30-27)32-23-11-6-12-24(18-23)33-29(34)20-7-5-10-22(17-20)31-21-8-3-2-4-9-21/h2-19,31H,1H3,(H,30,32)(H,33,34).
What are the key properties of 3-anilino-N-[3-[(6-methoxyquinolin-4-yl)amino]phenyl]benzamide?
3-anilino-N-[3-[(6-methoxyquinolin-4-yl)amino]phenyl]benzamide has a molecular weight of 460.54 g/mol, XLogP of 6.98, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-N-[3-[(6-methoxyquinolin-4-yl)amino]phenyl]benzamide is sourced from PubChem (CID 170001905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).