N-(4-phenylmethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide

C28H21N3O2 — CID 1261334

IUPACN-(4-phenylmethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C28H21N3O2/c32-28(30-22-10-12-23(13-11-22)33-19-20-6-2-1-3-7-20)25-18-27(21-14-16-29-17-15-21)31-26-9-5-4-8-24(25)26/h1-18H,19H2,(H,30,32)
InChIKeyDYYPOHWGHHTOIS-UHFFFAOYSA-N
MW431.50 g/mol
LogP6.13
Rot. Bonds6

About N-(4-phenylmethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide

N-(4-phenylmethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 1261334) has the molecular formula C28H21N3O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-(4-phenylmethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-phenylmethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID1261334
Molecular FormulaC28H21N3O2
Molecular Weight431.50 g/mol
Exact Mass431.16
IUPAC NameN-(4-phenylmethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C28H21N3O2/c32-28(30-22-10-12-23(13-11-22)33-19-20-6-2-1-3-7-20)25-18-27(21-14-16-29-17-15-21)31-26-9-5-4-8-24(25)26/h1-18H,19H2,(H,30,32)
InChIKeyDYYPOHWGHHTOIS-UHFFFAOYSA-N
XLogP6.13
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.50
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-phenylmethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 1257102
N-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2339769
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 43048343
2-phenyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 6879530
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
2-(4-chlorophenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 3128623
N-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 55778991
N-[4-(difluoromethoxy)phenyl]-2-phenylquinoline-4-carboxamide
CID 2318784
2-(3-propoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 5103750
N-[4-(propylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 21227643
N-(4-phenylmethoxyphenyl)naphthalene-1-carboxamide
CID 1336313

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylmethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-(4-phenylmethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide (CID 1261334) is N-(4-phenylmethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-phenylmethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-(4-phenylmethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide is O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of N-(4-phenylmethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is DYYPOHWGHHTOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O2/c32-28(30-22-10-12-23(13-11-22)33-19-20-6-2-1-3-7-20)25-18-27(21-14-16-29-17-15-21)31-26-9-5-4-8-24(25)26/h1-18H,19H2,(H,30,32).
What are the key properties of N-(4-phenylmethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide?
N-(4-phenylmethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 6.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylmethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 1261334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).