8-[3-methyl-4-(2-methylmorpholin-4-yl)anilino]-6-propyl-2H-2,7-naphthyridin-1-one

C23H28N4O2 — CID 123764480

IUPAC8-[3-methyl-4-(2-methylmorpholin-4-yl)anilino]-6-propyl-2H-2,7-naphthyridin-1-one
SMILESCCCc1cc2cc[nH]c(=O)c2c(Nc2ccc(N3CCOC(C)C3)c(C)c2)n1
InChIInChI=1S/C23H28N4O2/c1-4-5-18-13-17-8-9-24-23(28)21(17)22(25-18)26-19-6-7-20(15(2)12-19)27-10-11-29-16(3)14-27/h6-9,12-13,16H,4-5,10-11,14H2,1-3H3,(H,24,28)(H,25,26)
InChIKeyNIVLWNYEQPETSF-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.15
Rot. Bonds5

About 8-[3-methyl-4-(2-methylmorpholin-4-yl)anilino]-6-propyl-2H-2,7-naphthyridin-1-one

8-[3-methyl-4-(2-methylmorpholin-4-yl)anilino]-6-propyl-2H-2,7-naphthyridin-1-one (PubChem CID 123764480) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 8-[3-methyl-4-(2-methylmorpholin-4-yl)anilino]-6-propyl-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-[3-methyl-4-(2-methylmorpholin-4-yl)anilino]-6-propyl-2H-2,7-naphthyridin-1-one
PubChem CID123764480
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name8-[3-methyl-4-(2-methylmorpholin-4-yl)anilino]-6-propyl-2H-2,7-naphthyridin-1-one
SMILESCCCc1cc2cc[nH]c(=O)c2c(Nc2ccc(N3CCOC(C)C3)c(C)c2)n1
InChIInChI=1S/C23H28N4O2/c1-4-5-18-13-17-8-9-24-23(28)21(17)22(25-18)26-19-6-7-20(15(2)12-19)27-10-11-29-16(3)14-27/h6-9,12-13,16H,4-5,10-11,14H2,1-3H3,(H,24,28)(H,25,26)
InChIKeyNIVLWNYEQPETSF-UHFFFAOYSA-N
XLogP4.15
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[3-methyl-4-(2-methylmorpholin-4-yl)anilino]-6-propyl-2H-2,7-naphthyridin-1-one?
The IUPAC name of 8-[3-methyl-4-(2-methylmorpholin-4-yl)anilino]-6-propyl-2H-2,7-naphthyridin-1-one (CID 123764480) is 8-[3-methyl-4-(2-methylmorpholin-4-yl)anilino]-6-propyl-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-[3-methyl-4-(2-methylmorpholin-4-yl)anilino]-6-propyl-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 8-[3-methyl-4-(2-methylmorpholin-4-yl)anilino]-6-propyl-2H-2,7-naphthyridin-1-one is CCCc1cc2cc[nH]c(=O)c2c(Nc2ccc(N3CCOC(C)C3)c(C)c2)n1.
What is the InChIKey of 8-[3-methyl-4-(2-methylmorpholin-4-yl)anilino]-6-propyl-2H-2,7-naphthyridin-1-one?
The InChIKey is NIVLWNYEQPETSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-4-5-18-13-17-8-9-24-23(28)21(17)22(25-18)26-19-6-7-20(15(2)12-19)27-10-11-29-16(3)14-27/h6-9,12-13,16H,4-5,10-11,14H2,1-3H3,(H,24,28)(H,25,26).
What are the key properties of 8-[3-methyl-4-(2-methylmorpholin-4-yl)anilino]-6-propyl-2H-2,7-naphthyridin-1-one?
8-[3-methyl-4-(2-methylmorpholin-4-yl)anilino]-6-propyl-2H-2,7-naphthyridin-1-one has a molecular weight of 392.50 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-methyl-4-(2-methylmorpholin-4-yl)anilino]-6-propyl-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 123764480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).