1-[(2,4-dimethoxyphenyl)methyl]-8-methylbenzo[f][1,7]naphthyridine-2,5-diamine

C22H22N4O2 — CID 67003932

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-8-methylbenzo[f][1,7]naphthyridine-2,5-diamine
SMILESCOc1ccc(Cc2c(N)cnc3c(N)nc4cc(C)ccc4c23)c(OC)c1
InChIInChI=1S/C22H22N4O2/c1-12-4-7-15-18(8-12)26-22(24)21-20(15)16(17(23)11-25-21)9-13-5-6-14(27-2)10-19(13)28-3/h4-8,10-11H,9,23H2,1-3H3,(H2,24,26)
InChIKeyNPGJIZXPLWNYCB-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.86
Rot. Bonds4

About 1-[(2,4-dimethoxyphenyl)methyl]-8-methylbenzo[f][1,7]naphthyridine-2,5-diamine

1-[(2,4-dimethoxyphenyl)methyl]-8-methylbenzo[f][1,7]naphthyridine-2,5-diamine (PubChem CID 67003932) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-8-methylbenzo[f][1,7]naphthyridine-2,5-diamine.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-8-methylbenzo[f][1,7]naphthyridine-2,5-diamine
PubChem CID67003932
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-8-methylbenzo[f][1,7]naphthyridine-2,5-diamine
SMILESCOc1ccc(Cc2c(N)cnc3c(N)nc4cc(C)ccc4c23)c(OC)c1
InChIInChI=1S/C22H22N4O2/c1-12-4-7-15-18(8-12)26-22(24)21-20(15)16(17(23)11-25-21)9-13-5-6-14(27-2)10-19(13)28-3/h4-8,10-11H,9,23H2,1-3H3,(H2,24,26)
InChIKeyNPGJIZXPLWNYCB-UHFFFAOYSA-N
XLogP3.86
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-8-methylbenzo[f][1,7]naphthyridine-2,5-diamine?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-8-methylbenzo[f][1,7]naphthyridine-2,5-diamine (CID 67003932) is 1-[(2,4-dimethoxyphenyl)methyl]-8-methylbenzo[f][1,7]naphthyridine-2,5-diamine.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-8-methylbenzo[f][1,7]naphthyridine-2,5-diamine?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-8-methylbenzo[f][1,7]naphthyridine-2,5-diamine is COc1ccc(Cc2c(N)cnc3c(N)nc4cc(C)ccc4c23)c(OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-8-methylbenzo[f][1,7]naphthyridine-2,5-diamine?
The InChIKey is NPGJIZXPLWNYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-12-4-7-15-18(8-12)26-22(24)21-20(15)16(17(23)11-25-21)9-13-5-6-14(27-2)10-19(13)28-3/h4-8,10-11H,9,23H2,1-3H3,(H2,24,26).
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-8-methylbenzo[f][1,7]naphthyridine-2,5-diamine?
1-[(2,4-dimethoxyphenyl)methyl]-8-methylbenzo[f][1,7]naphthyridine-2,5-diamine has a molecular weight of 374.44 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-8-methylbenzo[f][1,7]naphthyridine-2,5-diamine is sourced from PubChem (CID 67003932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).