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

C22H21N3O3 — CID 53494123

IUPAC4-(3-methoxyanilino)-2-(2-methoxyphenyl)-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESCOc1cccc(Nc2cc(-c3ccccc3OC)nc3c2C(=O)NCC3)c1
InChIInChI=1S/C22H21N3O3/c1-27-15-7-5-6-14(12-15)24-19-13-18(16-8-3-4-9-20(16)28-2)25-17-10-11-23-22(26)21(17)19/h3-9,12-13H,10-11H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyURGCELHUVSSQEF-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.80
Rot. Bonds5

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

4-(3-methoxyanilino)-2-(2-methoxyphenyl)-7,8-dihydro-6H-1,6-naphthyridin-5-one (PubChem CID 53494123) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-(3-methoxyanilino)-2-(2-methoxyphenyl)-7,8-dihydro-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name4-(3-methoxyanilino)-2-(2-methoxyphenyl)-7,8-dihydro-6H-1,6-naphthyridin-5-one
PubChem CID53494123
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name4-(3-methoxyanilino)-2-(2-methoxyphenyl)-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESCOc1cccc(Nc2cc(-c3ccccc3OC)nc3c2C(=O)NCC3)c1
InChIInChI=1S/C22H21N3O3/c1-27-15-7-5-6-14(12-15)24-19-13-18(16-8-3-4-9-20(16)28-2)25-17-10-11-23-22(26)21(17)19/h3-9,12-13H,10-11H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyURGCELHUVSSQEF-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

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

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Related Compounds

Orelabrutinib
CID 91667513
4-Amino-5-(3-(isopropylamino)-2,2-dimethyl-3-oxopropoxy)-2-methylquinoline-3-carboxylic acid
CID 66746559
4-[(3-Methoxyphenyl)amino]-2-Phenyl-7,8-Dihydro-1,6-Naphthyridin-5(6h)-One
CID 53493858
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
4-Acridinecarboxamide, 9-amino-N-(2-(dimethylamino)ethyl)-1-methoxy-
CID 150543
N-(2-methoxybenzyl)-2-methylquinoline-4-carboxamide
CID 2713353
7-Methoxy-2-phenyl-quinoline-4-carboxylic acid phenethyl-amide
CID 10177949
7-Methoxy-2-phenyl-quinoline-4-carboxylic acid benzylamide
CID 10270385
6-methoxy-N-[3-[3-[(6-methoxyacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide
CID 10508048

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyanilino)-2-(2-methoxyphenyl)-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The IUPAC name of 4-(3-methoxyanilino)-2-(2-methoxyphenyl)-7,8-dihydro-6H-1,6-naphthyridin-5-one (CID 53494123) is 4-(3-methoxyanilino)-2-(2-methoxyphenyl)-7,8-dihydro-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 4-(3-methoxyanilino)-2-(2-methoxyphenyl)-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 4-(3-methoxyanilino)-2-(2-methoxyphenyl)-7,8-dihydro-6H-1,6-naphthyridin-5-one is COc1cccc(Nc2cc(-c3ccccc3OC)nc3c2C(=O)NCC3)c1.
What is the InChIKey of 4-(3-methoxyanilino)-2-(2-methoxyphenyl)-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The InChIKey is URGCELHUVSSQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-27-15-7-5-6-14(12-15)24-19-13-18(16-8-3-4-9-20(16)28-2)25-17-10-11-23-22(26)21(17)19/h3-9,12-13H,10-11H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 4-(3-methoxyanilino)-2-(2-methoxyphenyl)-7,8-dihydro-6H-1,6-naphthyridin-5-one?
4-(3-methoxyanilino)-2-(2-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-(2-methoxyphenyl)-7,8-dihydro-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 53494123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).