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

C23H28N4O2 — CID 58166678

IUPAC8-[3-methyl-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-propan-2-yl-2H-2,7-naphthyridin-1-one
SMILESCc1cc(Nc2nc(C(C)C)cc3cc[nH]c(=O)c23)ccc1N1CCO[C@H](C)C1
InChIInChI=1S/C23H28N4O2/c1-14(2)19-12-17-7-8-24-23(28)21(17)22(26-19)25-18-5-6-20(15(3)11-18)27-9-10-29-16(4)13-27/h5-8,11-12,14,16H,9-10,13H2,1-4H3,(H,24,28)(H,25,26)/t16-/m1/s1
InChIKeyDATQOUMDUXZQOI-MRXNPFEDSA-N
MW392.50 g/mol
LogP4.32
Rot. Bonds4

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

8-[3-methyl-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-propan-2-yl-2H-2,7-naphthyridin-1-one (PubChem CID 58166678) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 8-[3-methyl-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-propan-2-yl-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-[3-methyl-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-propan-2-yl-2H-2,7-naphthyridin-1-one
PubChem CID58166678
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name8-[3-methyl-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-propan-2-yl-2H-2,7-naphthyridin-1-one
SMILESCc1cc(Nc2nc(C(C)C)cc3cc[nH]c(=O)c23)ccc1N1CCO[C@H](C)C1
InChIInChI=1S/C23H28N4O2/c1-14(2)19-12-17-7-8-24-23(28)21(17)22(26-19)25-18-5-6-20(15(3)11-18)27-9-10-29-16(4)13-27/h5-8,11-12,14,16H,9-10,13H2,1-4H3,(H,24,28)(H,25,26)/t16-/m1/s1
InChIKeyDATQOUMDUXZQOI-MRXNPFEDSA-N
XLogP4.32
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.32
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-[(2R)-2-methylmorpholin-4-yl]anilino]-6-propan-2-yl-2H-2,7-naphthyridin-1-one?
The IUPAC name of 8-[3-methyl-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-propan-2-yl-2H-2,7-naphthyridin-1-one (CID 58166678) is 8-[3-methyl-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-propan-2-yl-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-[3-methyl-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-propan-2-yl-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 8-[3-methyl-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-propan-2-yl-2H-2,7-naphthyridin-1-one is Cc1cc(Nc2nc(C(C)C)cc3cc[nH]c(=O)c23)ccc1N1CCO[C@H](C)C1.
What is the InChIKey of 8-[3-methyl-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-propan-2-yl-2H-2,7-naphthyridin-1-one?
The InChIKey is DATQOUMDUXZQOI-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-14(2)19-12-17-7-8-24-23(28)21(17)22(26-19)25-18-5-6-20(15(3)11-18)27-9-10-29-16(4)13-27/h5-8,11-12,14,16H,9-10,13H2,1-4H3,(H,24,28)(H,25,26)/t16-/m1/s1.
What are the key properties of 8-[3-methyl-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-propan-2-yl-2H-2,7-naphthyridin-1-one?
8-[3-methyl-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-propan-2-yl-2H-2,7-naphthyridin-1-one has a molecular weight of 392.50 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-methyl-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-propan-2-yl-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58166678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).