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

C28H21N3O2 — CID 1257102

IUPACN-(4-phenylmethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C28H21N3O2/c32-28(30-21-13-15-22(16-14-21)33-19-20-8-2-1-3-9-20)24-18-27(26-12-6-7-17-29-26)31-25-11-5-4-10-23(24)25/h1-18H,19H2,(H,30,32)
InChIKeyWMMQQPYLAHSUCJ-UHFFFAOYSA-N
MW431.50 g/mol
LogP6.13
Rot. Bonds6

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

N-(4-phenylmethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 1257102) has the molecular formula C28H21N3O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-(4-phenylmethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-phenylmethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID1257102
Molecular FormulaC28H21N3O2
Molecular Weight431.50 g/mol
Exact Mass431.16
IUPAC NameN-(4-phenylmethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C28H21N3O2/c32-28(30-21-13-15-22(16-14-21)33-19-20-8-2-1-3-9-20)24-18-27(26-12-6-7-17-29-26)31-25-11-5-4-10-23(24)25/h1-18H,19H2,(H,30,32)
InChIKeyWMMQQPYLAHSUCJ-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-4-ylquinoline-4-carboxamide
CID 1261334
methyl 4-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate
CID 2220860
N-(4-carbamoylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 26636560
N-(4-phenylmethoxyphenyl)naphthalene-1-carboxamide
CID 1336313
N-(3-phenylpropylideneamino)-2-pyridin-2-ylquinoline-4-carboxamide
CID 3304435
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 27649831
N-(2,5-diethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 50798247
N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754
N-phenyl-2-pyrimidin-4-ylquinoline-4-carboxamide
CID 56946178
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
2-phenyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 6879530
2-methylsulfanyl-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide
CID 2446896

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylmethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(4-phenylmethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide (CID 1257102) is N-(4-phenylmethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-phenylmethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(4-phenylmethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide is O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(-c2ccccn2)nc2ccccc12.
What is the InChIKey of N-(4-phenylmethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is WMMQQPYLAHSUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O2/c32-28(30-21-13-15-22(16-14-21)33-19-20-8-2-1-3-9-20)24-18-27(26-12-6-7-17-29-26)31-25-11-5-4-10-23(24)25/h1-18H,19H2,(H,30,32).
What are the key properties of N-(4-phenylmethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide?
N-(4-phenylmethoxyphenyl)-2-pyridin-2-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-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 1257102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).