1-[2-[2-[amino(propyl)amino]ethyl]quinolin-6-yl]-4-phenylmethoxypyridin-2-one

C26H28N4O2 — CID 143424274

IUPAC1-[2-[2-[amino(propyl)amino]ethyl]quinolin-6-yl]-4-phenylmethoxypyridin-2-one
SMILESCCCN(N)CCc1ccc2cc(-n3ccc(OCc4ccccc4)cc3=O)ccc2n1
InChIInChI=1S/C26H28N4O2/c1-2-14-29(27)15-12-22-9-8-21-17-23(10-11-25(21)28-22)30-16-13-24(18-26(30)31)32-19-20-6-4-3-5-7-20/h3-11,13,16-18H,2,12,14-15,19,27H2,1H3
InChIKeyXEIPCILZVKGUBJ-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.09
Rot. Bonds9

About 1-[2-[2-[amino(propyl)amino]ethyl]quinolin-6-yl]-4-phenylmethoxypyridin-2-one

1-[2-[2-[amino(propyl)amino]ethyl]quinolin-6-yl]-4-phenylmethoxypyridin-2-one (PubChem CID 143424274) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 1-[2-[2-[amino(propyl)amino]ethyl]quinolin-6-yl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[2-[2-[amino(propyl)amino]ethyl]quinolin-6-yl]-4-phenylmethoxypyridin-2-one
PubChem CID143424274
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name1-[2-[2-[amino(propyl)amino]ethyl]quinolin-6-yl]-4-phenylmethoxypyridin-2-one
SMILESCCCN(N)CCc1ccc2cc(-n3ccc(OCc4ccccc4)cc3=O)ccc2n1
InChIInChI=1S/C26H28N4O2/c1-2-14-29(27)15-12-22-9-8-21-17-23(10-11-25(21)28-22)30-16-13-24(18-26(30)31)32-19-20-6-4-3-5-7-20/h3-11,13,16-18H,2,12,14-15,19,27H2,1H3
InChIKeyXEIPCILZVKGUBJ-UHFFFAOYSA-N
XLogP4.09
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-aminoethyl)quinolin-6-yl]-4-phenylmethoxypyridin-2-one
CID 71080950
1-[2-(2-hydroxyethyl)quinolin-6-yl]-4-phenylmethoxypyridin-2-one
CID 69080163
4-[(4-fluorophenyl)methoxy]-1-[2-(hydroxymethyl)quinolin-6-yl]pyridin-2-one
CID 69082097
1-(1-methylindazol-5-yl)-4-phenylmethoxypyridin-2-one
CID 143723289
1-(4-bromophenyl)-4-phenylmethoxypyridin-2-one
CID 59187025
1-[4-[2-(diethylamino)ethyl-methylamino]phenyl]-4-phenylmethoxypyridin-2-one
CID 53318595
4-phenylmethoxy-1-[4-(propylamino)phenyl]pyridin-2-one
CID 24780169
1-(4-iodo-3-methylphenyl)-4-phenylmethoxypyridin-2-one
CID 143591111
1-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylmethoxypyridin-2-one
CID 24780171
1-[1-(2-methoxypropyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one
CID 143723312
ethyl 3,5-dimethyl-2-(2-oxo-4-phenylmethoxy-1-pyridinyl)imidazole-4-carboxylate
CID 24985949
ethyl 7-[4-[(4-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]isoquinoline-3-carboxylate
CID 69084633

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[amino(propyl)amino]ethyl]quinolin-6-yl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[2-[2-[amino(propyl)amino]ethyl]quinolin-6-yl]-4-phenylmethoxypyridin-2-one (CID 143424274) is 1-[2-[2-[amino(propyl)amino]ethyl]quinolin-6-yl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[2-[2-[amino(propyl)amino]ethyl]quinolin-6-yl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[2-[2-[amino(propyl)amino]ethyl]quinolin-6-yl]-4-phenylmethoxypyridin-2-one is CCCN(N)CCc1ccc2cc(-n3ccc(OCc4ccccc4)cc3=O)ccc2n1.
What is the InChIKey of 1-[2-[2-[amino(propyl)amino]ethyl]quinolin-6-yl]-4-phenylmethoxypyridin-2-one?
The InChIKey is XEIPCILZVKGUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-2-14-29(27)15-12-22-9-8-21-17-23(10-11-25(21)28-22)30-16-13-24(18-26(30)31)32-19-20-6-4-3-5-7-20/h3-11,13,16-18H,2,12,14-15,19,27H2,1H3.
What are the key properties of 1-[2-[2-[amino(propyl)amino]ethyl]quinolin-6-yl]-4-phenylmethoxypyridin-2-one?
1-[2-[2-[amino(propyl)amino]ethyl]quinolin-6-yl]-4-phenylmethoxypyridin-2-one has a molecular weight of 428.54 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[amino(propyl)amino]ethyl]quinolin-6-yl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 143424274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).