2-anilino-1-(3-methoxyphenyl)-1,7-naphthyridin-4-one

C21H17N3O2 — CID 58589526

IUPAC2-anilino-1-(3-methoxyphenyl)-1,7-naphthyridin-4-one
SMILESCOc1cccc(-n2c(Nc3ccccc3)cc(=O)c3ccncc32)c1
InChIInChI=1S/C21H17N3O2/c1-26-17-9-5-8-16(12-17)24-19-14-22-11-10-18(19)20(25)13-21(24)23-15-6-3-2-4-7-15/h2-14,23H,1H3
InChIKeyOQQPZDVPNFGYGP-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.14
Rot. Bonds4

About 2-anilino-1-(3-methoxyphenyl)-1,7-naphthyridin-4-one

2-anilino-1-(3-methoxyphenyl)-1,7-naphthyridin-4-one (PubChem CID 58589526) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-anilino-1-(3-methoxyphenyl)-1,7-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-1-(3-methoxyphenyl)-1,7-naphthyridin-4-one
PubChem CID58589526
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name2-anilino-1-(3-methoxyphenyl)-1,7-naphthyridin-4-one
SMILESCOc1cccc(-n2c(Nc3ccccc3)cc(=O)c3ccncc32)c1
InChIInChI=1S/C21H17N3O2/c1-26-17-9-5-8-16(12-17)24-19-14-22-11-10-18(19)20(25)13-21(24)23-15-6-3-2-4-7-15/h2-14,23H,1H3
InChIKeyOQQPZDVPNFGYGP-UHFFFAOYSA-N
XLogP4.14
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-anilino-7-[(4-methoxyphenoxy)methyl]-1-phenyl-1,6-naphthyridin-4-one
CID 20790696
2-anilino-1-phenyl-1,8-naphthyridin-4-one
CID 141067621
5-amino-2-anilino-1-phenyl-1,7-naphthyridin-4-one
CID 58589534
6-anilino-2-methoxy-7-phenylthieno[2,3-b]pyridin-4-one
CID 143009072
2-anilino-8-(phenoxymethyl)-1-phenyl-1,6-naphthyridin-4-one
CID 20790921
2,8-dianilino-1-phenyl-1,6-naphthyridin-4-one
CID 20790469
2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-7-carboxamide
CID 10155193
2-anilino-8-[(2-methylpropan-2-yl)oxy]-1-phenyl-1,6-naphthyridin-4-one
CID 20790507
10,20-diphenyl-7,10,17,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
CID 123184243
2-anilino-7-(cyclopropylmethoxy)-1-phenyl-1,6-naphthyridin-4-one
CID 20790733
1-(3-methoxyphenyl)-N-phenylimidazol-2-amine
CID 106559903
1-(3-methoxyphenyl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 79296550

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-(3-methoxyphenyl)-1,7-naphthyridin-4-one?
The IUPAC name of 2-anilino-1-(3-methoxyphenyl)-1,7-naphthyridin-4-one (CID 58589526) is 2-anilino-1-(3-methoxyphenyl)-1,7-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-1-(3-methoxyphenyl)-1,7-naphthyridin-4-one?
The canonical SMILES for 2-anilino-1-(3-methoxyphenyl)-1,7-naphthyridin-4-one is COc1cccc(-n2c(Nc3ccccc3)cc(=O)c3ccncc32)c1.
What is the InChIKey of 2-anilino-1-(3-methoxyphenyl)-1,7-naphthyridin-4-one?
The InChIKey is OQQPZDVPNFGYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-26-17-9-5-8-16(12-17)24-19-14-22-11-10-18(19)20(25)13-21(24)23-15-6-3-2-4-7-15/h2-14,23H,1H3.
What are the key properties of 2-anilino-1-(3-methoxyphenyl)-1,7-naphthyridin-4-one?
2-anilino-1-(3-methoxyphenyl)-1,7-naphthyridin-4-one has a molecular weight of 343.39 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-(3-methoxyphenyl)-1,7-naphthyridin-4-one is sourced from PubChem (CID 58589526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).