N-(4-pyridin-4-yloxyphenyl)-3-(quinolin-4-ylamino)benzamide

C27H20N4O2 — CID 166832857

IUPACN-(4-pyridin-4-yloxyphenyl)-3-(quinolin-4-ylamino)benzamide
SMILESO=C(Nc1ccc(Oc2ccncc2)cc1)c1cccc(Nc2ccnc3ccccc23)c1
InChIInChI=1S/C27H20N4O2/c32-27(31-20-8-10-22(11-9-20)33-23-12-15-28-16-13-23)19-4-3-5-21(18-19)30-26-14-17-29-25-7-2-1-6-24(25)26/h1-18H,(H,29,30)(H,31,32)
InChIKeyOHDMBLIKKDBTSJ-UHFFFAOYSA-N
MW432.48 g/mol
LogP6.42
Rot. Bonds6

About N-(4-pyridin-4-yloxyphenyl)-3-(quinolin-4-ylamino)benzamide

N-(4-pyridin-4-yloxyphenyl)-3-(quinolin-4-ylamino)benzamide (PubChem CID 166832857) has the molecular formula C27H20N4O2 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-(4-pyridin-4-yloxyphenyl)-3-(quinolin-4-ylamino)benzamide.

Molecular Properties

Compound NameN-(4-pyridin-4-yloxyphenyl)-3-(quinolin-4-ylamino)benzamide
PubChem CID166832857
Molecular FormulaC27H20N4O2
Molecular Weight432.48 g/mol
Exact Mass432.16
IUPAC NameN-(4-pyridin-4-yloxyphenyl)-3-(quinolin-4-ylamino)benzamide
SMILESO=C(Nc1ccc(Oc2ccncc2)cc1)c1cccc(Nc2ccnc3ccccc23)c1
InChIInChI=1S/C27H20N4O2/c32-27(31-20-8-10-22(11-9-20)33-23-12-15-28-16-13-23)19-4-3-5-21(18-19)30-26-14-17-29-25-7-2-1-6-24(25)26/h1-18H,(H,29,30)(H,31,32)
InChIKeyOHDMBLIKKDBTSJ-UHFFFAOYSA-N
XLogP6.42
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.48
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-fluoroquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
CID 157042860
3-[(6-cyanoquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
CID 157043187
3-[(1-methylpyridin-1-ium-4-yl)amino]-N-[4-(quinolin-4-ylamino)phenyl]benzamide
CID 24858115
N-phenyl-4-(quinolin-4-ylamino)benzamide
CID 58472461
3-anilino-N-[3-[(6-methoxyquinolin-4-yl)amino]phenyl]benzamide
CID 170001905
3-[(6-ethynylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide
CID 163915964
N-(3-phenoxyphenyl)quinolin-4-amine
CID 44531074
N-(4-phenoxyphenyl)quinolin-4-amine
CID 44585573
N-[3-[(4-phenoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55631172
3-[(5-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide
CID 166832939
N-(4-phenoxyphenyl)quinolin-4-amine;hydrochloride
CID 67699123
3-[(6-fluoroquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 166833012

Frequently Asked Questions

What is the IUPAC name of N-(4-pyridin-4-yloxyphenyl)-3-(quinolin-4-ylamino)benzamide?
The IUPAC name of N-(4-pyridin-4-yloxyphenyl)-3-(quinolin-4-ylamino)benzamide (CID 166832857) is N-(4-pyridin-4-yloxyphenyl)-3-(quinolin-4-ylamino)benzamide.
What is the SMILES notation for N-(4-pyridin-4-yloxyphenyl)-3-(quinolin-4-ylamino)benzamide?
The canonical SMILES for N-(4-pyridin-4-yloxyphenyl)-3-(quinolin-4-ylamino)benzamide is O=C(Nc1ccc(Oc2ccncc2)cc1)c1cccc(Nc2ccnc3ccccc23)c1.
What is the InChIKey of N-(4-pyridin-4-yloxyphenyl)-3-(quinolin-4-ylamino)benzamide?
The InChIKey is OHDMBLIKKDBTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4O2/c32-27(31-20-8-10-22(11-9-20)33-23-12-15-28-16-13-23)19-4-3-5-21(18-19)30-26-14-17-29-25-7-2-1-6-24(25)26/h1-18H,(H,29,30)(H,31,32).
What are the key properties of N-(4-pyridin-4-yloxyphenyl)-3-(quinolin-4-ylamino)benzamide?
N-(4-pyridin-4-yloxyphenyl)-3-(quinolin-4-ylamino)benzamide has a molecular weight of 432.48 g/mol, XLogP of 6.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-4-yloxyphenyl)-3-(quinolin-4-ylamino)benzamide is sourced from PubChem (CID 166832857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).