1-(2,6-dichlorophenyl)-6-[(4-methoxyphenyl)methyl]-8H-1,6-naphthyridine-2,5,7-trione

C22H16Cl2N2O4 — CID 11690802

IUPAC1-(2,6-dichlorophenyl)-6-[(4-methoxyphenyl)methyl]-8H-1,6-naphthyridine-2,5,7-trione
SMILESCOc1ccc(CN2C(=O)Cc3c(ccc(=O)n3-c3c(Cl)cccc3Cl)C2=O)cc1
InChIInChI=1S/C22H16Cl2N2O4/c1-30-14-7-5-13(6-8-14)12-25-20(28)11-18-15(22(25)29)9-10-19(27)26(18)21-16(23)3-2-4-17(21)24/h2-10H,11-12H2,1H3
InChIKeyBZDZRGXMAYZKHJ-UHFFFAOYSA-N
MW443.29 g/mol
LogP3.88
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-6-[(4-methoxyphenyl)methyl]-8H-1,6-naphthyridine-2,5,7-trione

1-(2,6-dichlorophenyl)-6-[(4-methoxyphenyl)methyl]-8H-1,6-naphthyridine-2,5,7-trione (PubChem CID 11690802) has the molecular formula C22H16Cl2N2O4 and a molecular weight of 443.29 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-6-[(4-methoxyphenyl)methyl]-8H-1,6-naphthyridine-2,5,7-trione.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-6-[(4-methoxyphenyl)methyl]-8H-1,6-naphthyridine-2,5,7-trione
PubChem CID11690802
Molecular FormulaC22H16Cl2N2O4
Molecular Weight443.29 g/mol
Exact Mass442.05
IUPAC Name1-(2,6-dichlorophenyl)-6-[(4-methoxyphenyl)methyl]-8H-1,6-naphthyridine-2,5,7-trione
SMILESCOc1ccc(CN2C(=O)Cc3c(ccc(=O)n3-c3c(Cl)cccc3Cl)C2=O)cc1
InChIInChI=1S/C22H16Cl2N2O4/c1-30-14-7-5-13(6-8-14)12-25-20(28)11-18-15(22(25)29)9-10-19(27)26(18)21-16(23)3-2-4-17(21)24/h2-10H,11-12H2,1H3
InChIKeyBZDZRGXMAYZKHJ-UHFFFAOYSA-N
XLogP3.88
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.29
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[(4-methoxyphenyl)methyl]-7-methyl-3H-indol-2-one
CID 102315003
2-[(4-methoxyphenyl)methyl]-5-[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 23939601
7,18-bis[(4-methoxyphenyl)methyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;methane
CID 159967461
9-chloro-2-[(4-methoxyphenyl)methyl]-2,10,11-triazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-one
CID 163259541
(3E)-3-[(4-chlorophenyl)methylidene]-2-[(4-methoxyphenyl)methyl]isoindol-1-one
CID 71479587
3,4-dibromo-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 10761993
3-methoxy-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 11687421
2-[(4-methoxyphenyl)methyl]-1,3-dioxo-N-(3-pyrrolidin-1-ylpropyl)isoindole-5-carboxamide
CID 69276968
(3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 15896261
7-[(4-methoxyphenyl)methyl]-18-[(4-methylphenyl)methyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 164766706
3-chloro-1-[(4-methoxyphenyl)methyl]pyridin-2-one
CID 141379797
methyl 1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
CID 754863

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-6-[(4-methoxyphenyl)methyl]-8H-1,6-naphthyridine-2,5,7-trione?
The IUPAC name of 1-(2,6-dichlorophenyl)-6-[(4-methoxyphenyl)methyl]-8H-1,6-naphthyridine-2,5,7-trione (CID 11690802) is 1-(2,6-dichlorophenyl)-6-[(4-methoxyphenyl)methyl]-8H-1,6-naphthyridine-2,5,7-trione.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-6-[(4-methoxyphenyl)methyl]-8H-1,6-naphthyridine-2,5,7-trione?
The canonical SMILES for 1-(2,6-dichlorophenyl)-6-[(4-methoxyphenyl)methyl]-8H-1,6-naphthyridine-2,5,7-trione is COc1ccc(CN2C(=O)Cc3c(ccc(=O)n3-c3c(Cl)cccc3Cl)C2=O)cc1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-6-[(4-methoxyphenyl)methyl]-8H-1,6-naphthyridine-2,5,7-trione?
The InChIKey is BZDZRGXMAYZKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2O4/c1-30-14-7-5-13(6-8-14)12-25-20(28)11-18-15(22(25)29)9-10-19(27)26(18)21-16(23)3-2-4-17(21)24/h2-10H,11-12H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)-6-[(4-methoxyphenyl)methyl]-8H-1,6-naphthyridine-2,5,7-trione?
1-(2,6-dichlorophenyl)-6-[(4-methoxyphenyl)methyl]-8H-1,6-naphthyridine-2,5,7-trione has a molecular weight of 443.29 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-6-[(4-methoxyphenyl)methyl]-8H-1,6-naphthyridine-2,5,7-trione is sourced from PubChem (CID 11690802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).