4-(3-methoxyanilino)-2-(3-methoxyphenyl)-7,8-dihydro-6H-1,6-naphthyridin-5-one

C22H21N3O3 — CID 53494122

IUPAC4-(3-methoxyanilino)-2-(3-methoxyphenyl)-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESCOc1cccc(Nc2cc(-c3cccc(OC)c3)nc3c2C(=O)NCC3)c1
InChIInChI=1S/C22H21N3O3/c1-27-16-7-3-5-14(11-16)19-13-20(21-18(25-19)9-10-23-22(21)26)24-15-6-4-8-17(12-15)28-2/h3-8,11-13H,9-10H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyXAODGTFYXXESLE-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.80
Rot. Bonds5

About 4-(3-methoxyanilino)-2-(3-methoxyphenyl)-7,8-dihydro-6H-1,6-naphthyridin-5-one

4-(3-methoxyanilino)-2-(3-methoxyphenyl)-7,8-dihydro-6H-1,6-naphthyridin-5-one (PubChem CID 53494122) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-(3-methoxyanilino)-2-(3-methoxyphenyl)-7,8-dihydro-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name4-(3-methoxyanilino)-2-(3-methoxyphenyl)-7,8-dihydro-6H-1,6-naphthyridin-5-one
PubChem CID53494122
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name4-(3-methoxyanilino)-2-(3-methoxyphenyl)-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESCOc1cccc(Nc2cc(-c3cccc(OC)c3)nc3c2C(=O)NCC3)c1
InChIInChI=1S/C22H21N3O3/c1-27-16-7-3-5-14(11-16)19-13-20(21-18(25-19)9-10-23-22(21)26)24-15-6-4-8-17(12-15)28-2/h3-8,11-13H,9-10H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyXAODGTFYXXESLE-UHFFFAOYSA-N
XLogP3.80
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Orelabrutinib
CID 91667513
4-[(3-Methoxyphenyl)amino]-2-Phenyl-7,8-Dihydro-1,6-Naphthyridin-5(6h)-One
CID 53493858
6-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 59743926
3-[3-[4-(3-methoxyanilino)-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide
CID 53493993
4-[3-[4-(3-methoxyanilino)-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzoic acid
CID 53493994
N-[2-(dimethylamino)ethyl]-3-[3-[4-(3-methoxyanilino)-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide
CID 53493995
N-cyclopropyl-3-[3-[4-(3-methoxyanilino)-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide
CID 53494537
6,7-Dimethoxy-4-(o-tolylamino)quinoline-3-carboxamide
CID 44570804
6-(2-fluoranylpyridin-4-yl)-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 168276974
4-Acridinecarboxamide, 9-amino-N-(2-(dimethylamino)ethyl)-1-methoxy-
CID 150543
4-anilino-6,7-dimethoxy-N-methylquinoline-3-carboxamide
CID 127029779
4-anilino-7-methoxy-N-methyl-6-[(4-methylpiperazin-1-yl)methoxy]quinoline-3-carboxamide
CID 162661735

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyanilino)-2-(3-methoxyphenyl)-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The IUPAC name of 4-(3-methoxyanilino)-2-(3-methoxyphenyl)-7,8-dihydro-6H-1,6-naphthyridin-5-one (CID 53494122) is 4-(3-methoxyanilino)-2-(3-methoxyphenyl)-7,8-dihydro-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 4-(3-methoxyanilino)-2-(3-methoxyphenyl)-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 4-(3-methoxyanilino)-2-(3-methoxyphenyl)-7,8-dihydro-6H-1,6-naphthyridin-5-one is COc1cccc(Nc2cc(-c3cccc(OC)c3)nc3c2C(=O)NCC3)c1.
What is the InChIKey of 4-(3-methoxyanilino)-2-(3-methoxyphenyl)-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The InChIKey is XAODGTFYXXESLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-27-16-7-3-5-14(11-16)19-13-20(21-18(25-19)9-10-23-22(21)26)24-15-6-4-8-17(12-15)28-2/h3-8,11-13H,9-10H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 4-(3-methoxyanilino)-2-(3-methoxyphenyl)-7,8-dihydro-6H-1,6-naphthyridin-5-one?
4-(3-methoxyanilino)-2-(3-methoxyphenyl)-7,8-dihydro-6H-1,6-naphthyridin-5-one has a molecular weight of 375.43 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyanilino)-2-(3-methoxyphenyl)-7,8-dihydro-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 53494122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).