4-[[1-(1-benzofuran-5-ylmethyl)piperidin-4-yl]amino]-6-methoxy-1-methylquinolin-2-one

C25H27N3O3 — CID 20817781

IUPAC4-[[1-(1-benzofuran-5-ylmethyl)piperidin-4-yl]amino]-6-methoxy-1-methylquinolin-2-one
SMILESCOc1ccc2c(c1)c(NC1CCN(Cc3ccc4occc4c3)CC1)cc(=O)n2C
InChIInChI=1S/C25H27N3O3/c1-27-23-5-4-20(30-2)14-21(23)22(15-25(27)29)26-19-7-10-28(11-8-19)16-17-3-6-24-18(13-17)9-12-31-24/h3-6,9,12-15,19,26H,7-8,10-11,16H2,1-2H3
InChIKeyRJJZPAVAYDVKMO-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.37
Rot. Bonds5

About 4-[[1-(1-benzofuran-5-ylmethyl)piperidin-4-yl]amino]-6-methoxy-1-methylquinolin-2-one

4-[[1-(1-benzofuran-5-ylmethyl)piperidin-4-yl]amino]-6-methoxy-1-methylquinolin-2-one (PubChem CID 20817781) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 4-[[1-(1-benzofuran-5-ylmethyl)piperidin-4-yl]amino]-6-methoxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-[[1-(1-benzofuran-5-ylmethyl)piperidin-4-yl]amino]-6-methoxy-1-methylquinolin-2-one
PubChem CID20817781
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name4-[[1-(1-benzofuran-5-ylmethyl)piperidin-4-yl]amino]-6-methoxy-1-methylquinolin-2-one
SMILESCOc1ccc2c(c1)c(NC1CCN(Cc3ccc4occc4c3)CC1)cc(=O)n2C
InChIInChI=1S/C25H27N3O3/c1-27-23-5-4-20(30-2)14-21(23)22(15-25(27)29)26-19-7-10-28(11-8-19)16-17-3-6-24-18(13-17)9-12-31-24/h3-6,9,12-15,19,26H,7-8,10-11,16H2,1-2H3
InChIKeyRJJZPAVAYDVKMO-UHFFFAOYSA-N
XLogP4.37
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[1-(1-benzofuran-5-ylmethyl)piperidin-4-yl]amino]-6-methoxy-1-methylquinolin-2-one with MolForge

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Related Compounds

1,6-dimethyl-4-[[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]quinolin-2-one
CID 20817724
6-methoxy-4-[[1-[(7-methylnaphthalen-2-yl)methyl]piperidin-4-yl]amino]chromen-2-one;2,2,2-trifluoroacetic acid
CID 22348178
6-amino-4-(cyclopropylamino)-1-methylquinolin-2-one
CID 142478419
4-[[1-[(2,4-dimethylphenyl)methyl]piperidin-4-yl]amino]-6-methoxychromen-2-one
CID 10249946
4-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1-methylquinolin-2-one
CID 139356293
(3S,4R)-1-(1-benzofuran-5-ylmethyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 70720231
N-(1-benzofuran-5-ylmethyl)-1-propylpiperidin-4-amine;ethane
CID 143221470
4-[[1-(1-benzothiophen-4-ylmethyl)piperidin-4-yl]amino]-6-methoxychromen-2-one
CID 22348235
7-methoxy-4-(4-methoxyphenyl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]phthalazin-1-amine
CID 69213049
7-methoxy-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-4-(4-phenylphenyl)phthalazin-1-amine;dihydrochloride
CID 69209038
N-[(3R)-1-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide
CID 97159828
N-(2,4-dimethoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-amine
CID 4222218

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(1-benzofuran-5-ylmethyl)piperidin-4-yl]amino]-6-methoxy-1-methylquinolin-2-one?
The IUPAC name of 4-[[1-(1-benzofuran-5-ylmethyl)piperidin-4-yl]amino]-6-methoxy-1-methylquinolin-2-one (CID 20817781) is 4-[[1-(1-benzofuran-5-ylmethyl)piperidin-4-yl]amino]-6-methoxy-1-methylquinolin-2-one.
What is the SMILES notation for 4-[[1-(1-benzofuran-5-ylmethyl)piperidin-4-yl]amino]-6-methoxy-1-methylquinolin-2-one?
The canonical SMILES for 4-[[1-(1-benzofuran-5-ylmethyl)piperidin-4-yl]amino]-6-methoxy-1-methylquinolin-2-one is COc1ccc2c(c1)c(NC1CCN(Cc3ccc4occc4c3)CC1)cc(=O)n2C.
What is the InChIKey of 4-[[1-(1-benzofuran-5-ylmethyl)piperidin-4-yl]amino]-6-methoxy-1-methylquinolin-2-one?
The InChIKey is RJJZPAVAYDVKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-27-23-5-4-20(30-2)14-21(23)22(15-25(27)29)26-19-7-10-28(11-8-19)16-17-3-6-24-18(13-17)9-12-31-24/h3-6,9,12-15,19,26H,7-8,10-11,16H2,1-2H3.
What are the key properties of 4-[[1-(1-benzofuran-5-ylmethyl)piperidin-4-yl]amino]-6-methoxy-1-methylquinolin-2-one?
4-[[1-(1-benzofuran-5-ylmethyl)piperidin-4-yl]amino]-6-methoxy-1-methylquinolin-2-one has a molecular weight of 417.51 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(1-benzofuran-5-ylmethyl)piperidin-4-yl]amino]-6-methoxy-1-methylquinolin-2-one is sourced from PubChem (CID 20817781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).