6-(dimethylamino)-2-(2-hydroxyphenyl)-1H-quinolin-4-one;6-(dimethylamino)-2-(3-methylphenyl)-1H-quinolin-4-one;2-(2-hydroxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one;2-(3-methylphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one

C74H72N8O6 — CID 161360591

IUPAC6-(dimethylamino)-2-(2-hydroxyphenyl)-1H-quinolin-4-one;6-(dimethylamino)-2-(3-methylphenyl)-1H-quinolin-4-one;2-(2-hydroxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one;2-(3-methylphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one
SMILESCN(C)c1ccc2[nH]c(-c3ccccc3O)cc(=O)c2c1.Cc1cccc(-c2cc(=O)c3cc(N(C)C)ccc3[nH]2)c1.Cc1cccc(-c2cc(=O)c3cc(N4CCCC4)ccc3[nH]2)c1.O=c1cc(-c2ccccc2O)[nH]c2ccc(N3CCCC3)cc12
InChIInChI=1S/C20H20N2O.C19H18N2O2.C18H18N2O.C17H16N2O2/c1-14-5-4-6-15(11-14)19-13-20(23)17-12-16(7-8-18(17)21-19)22-9-2-3-10-22;22-18-6-2-1-5-14(18)17-12-19(23)15-11-13(7-8-16(15)20-17)21-9-3-4-10-21;1-12-5-4-6-13(9-12)17-11-18(21)15-10-14(20(2)3)7-8-16(15)19-17;1-19(2)11-7-8-14-13(9-11)17(21)10-15(18-14)12-5-3-4-6-16(12)20/h4-8,11-13H,2-3,9-10H2,1H3,(H,21,23);1-2,5-8,11-12,22H,3-4,9-10H2,(H,20,23);4-11H,1-3H3,(H,19,21);3-10,20H,1-2H3,(H,18,21)
InChIKeyVPCRCTIQYBCLFR-UHFFFAOYSA-N
MW1169.44 g/mol
LogP14.14
Rot. Bonds8

About 6-(dimethylamino)-2-(2-hydroxyphenyl)-1H-quinolin-4-one;6-(dimethylamino)-2-(3-methylphenyl)-1H-quinolin-4-one;2-(2-hydroxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one;2-(3-methylphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one

6-(dimethylamino)-2-(2-hydroxyphenyl)-1H-quinolin-4-one;6-(dimethylamino)-2-(3-methylphenyl)-1H-quinolin-4-one;2-(2-hydroxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one;2-(3-methylphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one (PubChem CID 161360591) has the molecular formula C74H72N8O6 and a molecular weight of 1169.44 g/mol. Its IUPAC name is 6-(dimethylamino)-2-(2-hydroxyphenyl)-1H-quinolin-4-one;6-(dimethylamino)-2-(3-methylphenyl)-1H-quinolin-4-one;2-(2-hydroxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one;2-(3-methylphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-(dimethylamino)-2-(2-hydroxyphenyl)-1H-quinolin-4-one;6-(dimethylamino)-2-(3-methylphenyl)-1H-quinolin-4-one;2-(2-hydroxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one;2-(3-methylphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one
PubChem CID161360591
Molecular FormulaC74H72N8O6
Molecular Weight1169.44 g/mol
Exact Mass1168.56
IUPAC Name6-(dimethylamino)-2-(2-hydroxyphenyl)-1H-quinolin-4-one;6-(dimethylamino)-2-(3-methylphenyl)-1H-quinolin-4-one;2-(2-hydroxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one;2-(3-methylphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one
SMILESCN(C)c1ccc2[nH]c(-c3ccccc3O)cc(=O)c2c1.Cc1cccc(-c2cc(=O)c3cc(N(C)C)ccc3[nH]2)c1.Cc1cccc(-c2cc(=O)c3cc(N4CCCC4)ccc3[nH]2)c1.O=c1cc(-c2ccccc2O)[nH]c2ccc(N3CCCC3)cc12
InChIInChI=1S/C20H20N2O.C19H18N2O2.C18H18N2O.C17H16N2O2/c1-14-5-4-6-15(11-14)19-13-20(23)17-12-16(7-8-18(17)21-19)22-9-2-3-10-22;22-18-6-2-1-5-14(18)17-12-19(23)15-11-13(7-8-16(15)20-17)21-9-3-4-10-21;1-12-5-4-6-13(9-12)17-11-18(21)15-10-14(20(2)3)7-8-16(15)19-17;1-19(2)11-7-8-14-13(9-11)17(21)10-15(18-14)12-5-3-4-6-16(12)20/h4-8,11-13H,2-3,9-10H2,1H3,(H,21,23);1-2,5-8,11-12,22H,3-4,9-10H2,(H,20,23);4-11H,1-3H3,(H,19,21);3-10,20H,1-2H3,(H,18,21)
InChIKeyVPCRCTIQYBCLFR-UHFFFAOYSA-N
XLogP14.14
TPSA184.86 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001169.44
LogP ≤ 514.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze 6-(dimethylamino)-2-(2-hydroxyphenyl)-1H-quinolin-4-one;6-(dimethylamino)-2-(3-methylphenyl)-1H-quinolin-4-one;2-(2-hydroxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one;2-(3-methylphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-hydroxy-3-methoxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one
CID 56645525
2,7-bis(4-pyrrolidin-1-ylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione
CID 139781766
2-(3-hydroxyphenyl)-3-methyl-6-piperidin-1-yl-1H-quinolin-4-one
CID 56670186
[3-(4-oxo-6-pyrrolidin-1-yl-1H-quinolin-2-yl)phenyl] bis(phenylmethoxy) phosphate
CID 142713834
6-(dimethylamino)-2-naphthalen-1-yl-3H-quinazolin-4-one;6-methyl-2-naphthalen-1-yl-3H-quinazolin-4-one;6-morpholin-4-yl-2-naphthalen-1-yl-3H-quinazolin-4-one;2-naphthalen-1-yl-6-piperidin-1-yl-3H-quinazolin-4-one;2-naphthalen-1-yl-6-pyrrolidin-1-yl-3H-quinazolin-4-one
CID 159977746
2-(2,3-dimethoxyphenyl)-6-morpholin-4-yl-1H-quinolin-4-one
CID 56643677
7-(dimethylamino)-3-(3-morpholin-4-ylphenyl)-2H-isoquinolin-1-one
CID 143087038
methyl 4-oxo-6-pyrrolidin-1-yl-1H-quinoline-2-carboxylate
CID 63376573
6-(dimethylamino)-2-(4-phenylmethoxyphenyl)-1H-quinolin-4-one
CID 66659280
2-(4-hydroxyphenyl)-6-methyl-1H-quinolin-4-one
CID 10658383
2-phenyl-5-pyrrolidin-1-ylphenol
CID 91608204
2-methyl-6-(4-methylpiperazin-1-yl)-1H-quinolin-4-one
CID 69171507

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-2-(2-hydroxyphenyl)-1H-quinolin-4-one;6-(dimethylamino)-2-(3-methylphenyl)-1H-quinolin-4-one;2-(2-hydroxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one;2-(3-methylphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one?
The IUPAC name of 6-(dimethylamino)-2-(2-hydroxyphenyl)-1H-quinolin-4-one;6-(dimethylamino)-2-(3-methylphenyl)-1H-quinolin-4-one;2-(2-hydroxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one;2-(3-methylphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one (CID 161360591) is 6-(dimethylamino)-2-(2-hydroxyphenyl)-1H-quinolin-4-one;6-(dimethylamino)-2-(3-methylphenyl)-1H-quinolin-4-one;2-(2-hydroxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one;2-(3-methylphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one.
What is the SMILES notation for 6-(dimethylamino)-2-(2-hydroxyphenyl)-1H-quinolin-4-one;6-(dimethylamino)-2-(3-methylphenyl)-1H-quinolin-4-one;2-(2-hydroxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one;2-(3-methylphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one?
The canonical SMILES for 6-(dimethylamino)-2-(2-hydroxyphenyl)-1H-quinolin-4-one;6-(dimethylamino)-2-(3-methylphenyl)-1H-quinolin-4-one;2-(2-hydroxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one;2-(3-methylphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one is CN(C)c1ccc2[nH]c(-c3ccccc3O)cc(=O)c2c1.Cc1cccc(-c2cc(=O)c3cc(N(C)C)ccc3[nH]2)c1.Cc1cccc(-c2cc(=O)c3cc(N4CCCC4)ccc3[nH]2)c1.O=c1cc(-c2ccccc2O)[nH]c2ccc(N3CCCC3)cc12.
What is the InChIKey of 6-(dimethylamino)-2-(2-hydroxyphenyl)-1H-quinolin-4-one;6-(dimethylamino)-2-(3-methylphenyl)-1H-quinolin-4-one;2-(2-hydroxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one;2-(3-methylphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one?
The InChIKey is VPCRCTIQYBCLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O.C19H18N2O2.C18H18N2O.C17H16N2O2/c1-14-5-4-6-15(11-14)19-13-20(23)17-12-16(7-8-18(17)21-19)22-9-2-3-10-22;22-18-6-2-1-5-14(18)17-12-19(23)15-11-13(7-8-16(15)20-17)21-9-3-4-10-21;1-12-5-4-6-13(9-12)17-11-18(21)15-10-14(20(2)3)7-8-16(15)19-17;1-19(2)11-7-8-14-13(9-11)17(21)10-15(18-14)12-5-3-4-6-16(12)20/h4-8,11-13H,2-3,9-10H2,1H3,(H,21,23);1-2,5-8,11-12,22H,3-4,9-10H2,(H,20,23);4-11H,1-3H3,(H,19,21);3-10,20H,1-2H3,(H,18,21).
What are the key properties of 6-(dimethylamino)-2-(2-hydroxyphenyl)-1H-quinolin-4-one;6-(dimethylamino)-2-(3-methylphenyl)-1H-quinolin-4-one;2-(2-hydroxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one;2-(3-methylphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one?
6-(dimethylamino)-2-(2-hydroxyphenyl)-1H-quinolin-4-one;6-(dimethylamino)-2-(3-methylphenyl)-1H-quinolin-4-one;2-(2-hydroxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one;2-(3-methylphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one has a molecular weight of 1169.44 g/mol, XLogP of 14.14, 8 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2-(2-hydroxyphenyl)-1H-quinolin-4-one;6-(dimethylamino)-2-(3-methylphenyl)-1H-quinolin-4-one;2-(2-hydroxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one;2-(3-methylphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one is sourced from PubChem (CID 161360591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).