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

C22H21N3O3 — CID 53494126

IUPAC4-(3,5-dimethoxyanilino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESCOc1cc(Nc2cc(-c3ccccc3)nc3c2C(=O)NCC3)cc(OC)c1
InChIInChI=1S/C22H21N3O3/c1-27-16-10-15(11-17(12-16)28-2)24-20-13-19(14-6-4-3-5-7-14)25-18-8-9-23-22(26)21(18)20/h3-7,10-13H,8-9H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyWVMCWUYAWKSAEP-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.80
Rot. Bonds5

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

4-(3,5-dimethoxyanilino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one (PubChem CID 53494126) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-(3,5-dimethoxyanilino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name4-(3,5-dimethoxyanilino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one
PubChem CID53494126
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name4-(3,5-dimethoxyanilino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESCOc1cc(Nc2cc(-c3ccccc3)nc3c2C(=O)NCC3)cc(OC)c1
InChIInChI=1S/C22H21N3O3/c1-27-16-10-15(11-17(12-16)28-2)24-20-13-19(14-6-4-3-5-7-14)25-18-8-9-23-22(26)21(18)20/h3-7,10-13H,8-9H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyWVMCWUYAWKSAEP-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

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
4-(3-Methoxyanilino)quinoline-3-carboxamide
CID 45485428
N-(3-(4-(3-Methoxyphenyl)piperazin-1-yl)propyl)-2-methyl-5-phenyl-1-propyl-1H-pyrrole-3-carboxamide
CID 49863774
2-(3-bromophenyl)-4-(3-methoxyanilino)-7,8-dihydro-6H-1,6-naphthyridin-5-one
CID 53493992
2-[3-(3-hydroxyphenyl)phenyl]-4-(3-methoxyanilino)-7,8-dihydro-6H-1,6-naphthyridin-5-one
CID 53494121
4-(3-methoxyanilino)-2-(3-methoxyphenyl)-7,8-dihydro-6H-1,6-naphthyridin-5-one
CID 53494122
4-(3-methoxyanilino)-2-(2-methoxyphenyl)-7,8-dihydro-6H-1,6-naphthyridin-5-one
CID 53494123

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxyanilino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The IUPAC name of 4-(3,5-dimethoxyanilino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one (CID 53494126) is 4-(3,5-dimethoxyanilino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 4-(3,5-dimethoxyanilino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 4-(3,5-dimethoxyanilino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one is COc1cc(Nc2cc(-c3ccccc3)nc3c2C(=O)NCC3)cc(OC)c1.
What is the InChIKey of 4-(3,5-dimethoxyanilino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The InChIKey is WVMCWUYAWKSAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-27-16-10-15(11-17(12-16)28-2)24-20-13-19(14-6-4-3-5-7-14)25-18-8-9-23-22(26)21(18)20/h3-7,10-13H,8-9H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 4-(3,5-dimethoxyanilino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
4-(3,5-dimethoxyanilino)-2-phenyl-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-(3,5-dimethoxyanilino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 53494126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).