8-(2,4-dichlorophenyl)-N-heptan-4-yl-2-methyl-5-nitro-1,7-naphthyridin-4-amine

C22H24Cl2N4O2 — CID 22711987

IUPAC8-(2,4-dichlorophenyl)-N-heptan-4-yl-2-methyl-5-nitro-1,7-naphthyridin-4-amine
SMILESCCCC(CCC)Nc1cc(C)nc2c(-c3ccc(Cl)cc3Cl)ncc([N+](=O)[O-])c12
InChIInChI=1S/C22H24Cl2N4O2/c1-4-6-15(7-5-2)27-18-10-13(3)26-22-20(18)19(28(29)30)12-25-21(22)16-9-8-14(23)11-17(16)24/h8-12,15H,4-7H2,1-3H3,(H,26,27)
InChIKeyGHKLYZZLFHDXGO-UHFFFAOYSA-N
MW447.37 g/mol
LogP7.20
Rot. Bonds8

About 8-(2,4-dichlorophenyl)-N-heptan-4-yl-2-methyl-5-nitro-1,7-naphthyridin-4-amine

8-(2,4-dichlorophenyl)-N-heptan-4-yl-2-methyl-5-nitro-1,7-naphthyridin-4-amine (PubChem CID 22711987) has the molecular formula C22H24Cl2N4O2 and a molecular weight of 447.37 g/mol. Its IUPAC name is 8-(2,4-dichlorophenyl)-N-heptan-4-yl-2-methyl-5-nitro-1,7-naphthyridin-4-amine.

Molecular Properties

Compound Name8-(2,4-dichlorophenyl)-N-heptan-4-yl-2-methyl-5-nitro-1,7-naphthyridin-4-amine
PubChem CID22711987
Molecular FormulaC22H24Cl2N4O2
Molecular Weight447.37 g/mol
Exact Mass446.13
IUPAC Name8-(2,4-dichlorophenyl)-N-heptan-4-yl-2-methyl-5-nitro-1,7-naphthyridin-4-amine
SMILESCCCC(CCC)Nc1cc(C)nc2c(-c3ccc(Cl)cc3Cl)ncc([N+](=O)[O-])c12
InChIInChI=1S/C22H24Cl2N4O2/c1-4-6-15(7-5-2)27-18-10-13(3)26-22-20(18)19(28(29)30)12-25-21(22)16-9-8-14(23)11-17(16)24/h8-12,15H,4-7H2,1-3H3,(H,26,27)
InChIKeyGHKLYZZLFHDXGO-UHFFFAOYSA-N
XLogP7.20
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.37
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dichlorophenyl)-N-heptan-4-yl-2-methyl-5-nitro-1,7-naphthyridin-4-amine?
The IUPAC name of 8-(2,4-dichlorophenyl)-N-heptan-4-yl-2-methyl-5-nitro-1,7-naphthyridin-4-amine (CID 22711987) is 8-(2,4-dichlorophenyl)-N-heptan-4-yl-2-methyl-5-nitro-1,7-naphthyridin-4-amine.
What is the SMILES notation for 8-(2,4-dichlorophenyl)-N-heptan-4-yl-2-methyl-5-nitro-1,7-naphthyridin-4-amine?
The canonical SMILES for 8-(2,4-dichlorophenyl)-N-heptan-4-yl-2-methyl-5-nitro-1,7-naphthyridin-4-amine is CCCC(CCC)Nc1cc(C)nc2c(-c3ccc(Cl)cc3Cl)ncc([N+](=O)[O-])c12.
What is the InChIKey of 8-(2,4-dichlorophenyl)-N-heptan-4-yl-2-methyl-5-nitro-1,7-naphthyridin-4-amine?
The InChIKey is GHKLYZZLFHDXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N4O2/c1-4-6-15(7-5-2)27-18-10-13(3)26-22-20(18)19(28(29)30)12-25-21(22)16-9-8-14(23)11-17(16)24/h8-12,15H,4-7H2,1-3H3,(H,26,27).
What are the key properties of 8-(2,4-dichlorophenyl)-N-heptan-4-yl-2-methyl-5-nitro-1,7-naphthyridin-4-amine?
8-(2,4-dichlorophenyl)-N-heptan-4-yl-2-methyl-5-nitro-1,7-naphthyridin-4-amine has a molecular weight of 447.37 g/mol, XLogP of 7.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dichlorophenyl)-N-heptan-4-yl-2-methyl-5-nitro-1,7-naphthyridin-4-amine is sourced from PubChem (CID 22711987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).