6-(dimethylamino)-2-(4-phenylmethoxyphenyl)-1H-quinolin-4-one

C24H22N2O2 — CID 66659280

IUPAC6-(dimethylamino)-2-(4-phenylmethoxyphenyl)-1H-quinolin-4-one
SMILESCN(C)c1ccc2[nH]c(-c3ccc(OCc4ccccc4)cc3)cc(=O)c2c1
InChIInChI=1S/C24H22N2O2/c1-26(2)19-10-13-22-21(14-19)24(27)15-23(25-22)18-8-11-20(12-9-18)28-16-17-6-4-3-5-7-17/h3-15H,16H2,1-2H3,(H,25,27)
InChIKeyFUPGGGNMYNHPBH-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.84
Rot. Bonds5

About 6-(dimethylamino)-2-(4-phenylmethoxyphenyl)-1H-quinolin-4-one

6-(dimethylamino)-2-(4-phenylmethoxyphenyl)-1H-quinolin-4-one (PubChem CID 66659280) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 6-(dimethylamino)-2-(4-phenylmethoxyphenyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-(dimethylamino)-2-(4-phenylmethoxyphenyl)-1H-quinolin-4-one
PubChem CID66659280
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name6-(dimethylamino)-2-(4-phenylmethoxyphenyl)-1H-quinolin-4-one
SMILESCN(C)c1ccc2[nH]c(-c3ccc(OCc4ccccc4)cc3)cc(=O)c2c1
InChIInChI=1S/C24H22N2O2/c1-26(2)19-10-13-22-21(14-19)24(27)15-23(25-22)18-8-11-20(12-9-18)28-16-17-6-4-3-5-7-17/h3-15H,16H2,1-2H3,(H,25,27)
InChIKeyFUPGGGNMYNHPBH-UHFFFAOYSA-N
XLogP4.84
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-6-phenylmethoxy-1H-indole
CID 44553261
ethyl 5-(4-phenylmethoxyphenyl)-4H-thieno[3,2-b]pyrrole-2-carboxylate
CID 23136614
2-phenyl-3-(4-phenylmethoxyphenyl)-1H-indole
CID 139885625
6,16,26-tris(phenylmethoxy)-10,20,30-triazaheptacyclo[21.7.0.03,11.04,9.013,21.014,19.024,29]triaconta-1(23),3(11),4(9),5,7,13(21),14(19),15,17,24(29),25,27-dodecaene
CID 101011137
ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylate
CID 155209376
N,N-dimethyl-4-[(4-phenylmethoxyphenyl)iminomethyl]aniline
CID 23965821
6-butan-2-yl-2-phenyl-1H-quinolin-4-one
CID 43668331
6-methoxy-5-phenylmethoxy-2-pyridin-3-yl-1H-quinolin-4-one
CID 15675346
2-(4-hydroxyphenyl)-6-methyl-1H-quinolin-4-one
CID 10658383
ethyl 2-(4-hydroxyphenyl)-4-oxo-1H-quinoline-6-carboxylate
CID 155209399
N-methyl-N-(4-phenylmethoxyphenyl)-1H-imidazole-5-sulfonamide
CID 91661684
5-(4-phenylmethoxyphenyl)-1H-pyrazol-3-amine
CID 3707491

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-2-(4-phenylmethoxyphenyl)-1H-quinolin-4-one?
The IUPAC name of 6-(dimethylamino)-2-(4-phenylmethoxyphenyl)-1H-quinolin-4-one (CID 66659280) is 6-(dimethylamino)-2-(4-phenylmethoxyphenyl)-1H-quinolin-4-one.
What is the SMILES notation for 6-(dimethylamino)-2-(4-phenylmethoxyphenyl)-1H-quinolin-4-one?
The canonical SMILES for 6-(dimethylamino)-2-(4-phenylmethoxyphenyl)-1H-quinolin-4-one is CN(C)c1ccc2[nH]c(-c3ccc(OCc4ccccc4)cc3)cc(=O)c2c1.
What is the InChIKey of 6-(dimethylamino)-2-(4-phenylmethoxyphenyl)-1H-quinolin-4-one?
The InChIKey is FUPGGGNMYNHPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-26(2)19-10-13-22-21(14-19)24(27)15-23(25-22)18-8-11-20(12-9-18)28-16-17-6-4-3-5-7-17/h3-15H,16H2,1-2H3,(H,25,27).
What are the key properties of 6-(dimethylamino)-2-(4-phenylmethoxyphenyl)-1H-quinolin-4-one?
6-(dimethylamino)-2-(4-phenylmethoxyphenyl)-1H-quinolin-4-one has a molecular weight of 370.45 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2-(4-phenylmethoxyphenyl)-1H-quinolin-4-one is sourced from PubChem (CID 66659280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).