N-[3-(2-amino-2-oxoethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide

C23H18N4O3 — CID 43048343

IUPACN-[3-(2-amino-2-oxoethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESNC(=O)COc1cccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1
InChIInChI=1S/C23H18N4O3/c24-22(28)14-30-17-5-3-4-16(12-17)26-23(29)19-13-21(15-8-10-25-11-9-15)27-20-7-2-1-6-18(19)20/h1-13H,14H2,(H2,24,28)(H,26,29)
InChIKeyVQPHBHMNCRKEFU-UHFFFAOYSA-N
MW398.42 g/mol
LogP3.41
Rot. Bonds6

About N-[3-(2-amino-2-oxoethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide

N-[3-(2-amino-2-oxoethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 43048343) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is N-[3-(2-amino-2-oxoethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-oxoethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID43048343
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC NameN-[3-(2-amino-2-oxoethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESNC(=O)COc1cccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1
InChIInChI=1S/C23H18N4O3/c24-22(28)14-30-17-5-3-4-16(12-17)26-23(29)19-13-21(15-8-10-25-11-9-15)27-20-7-2-1-6-18(19)20/h1-13H,14H2,(H2,24,28)(H,26,29)
InChIKeyVQPHBHMNCRKEFU-UHFFFAOYSA-N
XLogP3.41
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 55778991
N-(4-phenylmethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 1261334
2-(3-propoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 5103750
N-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2339769
2-(3-butoxyphenyl)-N-pyridin-3-ylquinoline-4-carboxamide
CID 56692982
N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 26289344
N-[(3-carbamoylphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 32636581
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-oxo-1H-quinoline-4-carboxamide
CID 18290394
2-(4-methoxyphenyl)-N-[3-(propanoylamino)phenyl]quinoline-4-carboxamide
CID 46578599
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
N-[3-(cyanomethoxy)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 55800284
N-(9-ethylcarbazol-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2330776

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-oxoethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-[3-(2-amino-2-oxoethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide (CID 43048343) is N-[3-(2-amino-2-oxoethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[3-(2-amino-2-oxoethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-[3-(2-amino-2-oxoethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide is NC(=O)COc1cccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1.
What is the InChIKey of N-[3-(2-amino-2-oxoethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is VQPHBHMNCRKEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3/c24-22(28)14-30-17-5-3-4-16(12-17)26-23(29)19-13-21(15-8-10-25-11-9-15)27-20-7-2-1-6-18(19)20/h1-13H,14H2,(H2,24,28)(H,26,29).
What are the key properties of N-[3-(2-amino-2-oxoethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide?
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 398.42 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-2-oxoethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 43048343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).