1-[4-(1-methylpyrazol-3-yl)anilino]-5H-benzo[c][1,8]naphthyridin-6-one

C22H17N5O — CID 58168277

IUPAC1-[4-(1-methylpyrazol-3-yl)anilino]-5H-benzo[c][1,8]naphthyridin-6-one
SMILESCn1ccc(-c2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)n1
InChIInChI=1S/C22H17N5O/c1-27-13-11-18(26-27)14-6-8-15(9-7-14)24-19-10-12-23-21-20(19)16-4-2-3-5-17(16)22(28)25-21/h2-13H,1H3,(H2,23,24,25,28)
InChIKeyMGLOZTQDZXTUCJ-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.22
Rot. Bonds3

About 1-[4-(1-methylpyrazol-3-yl)anilino]-5H-benzo[c][1,8]naphthyridin-6-one

1-[4-(1-methylpyrazol-3-yl)anilino]-5H-benzo[c][1,8]naphthyridin-6-one (PubChem CID 58168277) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-[4-(1-methylpyrazol-3-yl)anilino]-5H-benzo[c][1,8]naphthyridin-6-one.

Molecular Properties

Compound Name1-[4-(1-methylpyrazol-3-yl)anilino]-5H-benzo[c][1,8]naphthyridin-6-one
PubChem CID58168277
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC Name1-[4-(1-methylpyrazol-3-yl)anilino]-5H-benzo[c][1,8]naphthyridin-6-one
SMILESCn1ccc(-c2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)n1
InChIInChI=1S/C22H17N5O/c1-27-13-11-18(26-27)14-6-8-15(9-7-14)24-19-10-12-23-21-20(19)16-4-2-3-5-17(16)22(28)25-21/h2-13H,1H3,(H2,23,24,25,28)
InChIKeyMGLOZTQDZXTUCJ-UHFFFAOYSA-N
XLogP4.22
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[4-(1-methylpyrazol-3-yl)anilino]-5H-benzo[c][1,8]naphthyridin-6-one?
The IUPAC name of 1-[4-(1-methylpyrazol-3-yl)anilino]-5H-benzo[c][1,8]naphthyridin-6-one (CID 58168277) is 1-[4-(1-methylpyrazol-3-yl)anilino]-5H-benzo[c][1,8]naphthyridin-6-one.
What is the SMILES notation for 1-[4-(1-methylpyrazol-3-yl)anilino]-5H-benzo[c][1,8]naphthyridin-6-one?
The canonical SMILES for 1-[4-(1-methylpyrazol-3-yl)anilino]-5H-benzo[c][1,8]naphthyridin-6-one is Cn1ccc(-c2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)n1.
What is the InChIKey of 1-[4-(1-methylpyrazol-3-yl)anilino]-5H-benzo[c][1,8]naphthyridin-6-one?
The InChIKey is MGLOZTQDZXTUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c1-27-13-11-18(26-27)14-6-8-15(9-7-14)24-19-10-12-23-21-20(19)16-4-2-3-5-17(16)22(28)25-21/h2-13H,1H3,(H2,23,24,25,28).
What are the key properties of 1-[4-(1-methylpyrazol-3-yl)anilino]-5H-benzo[c][1,8]naphthyridin-6-one?
1-[4-(1-methylpyrazol-3-yl)anilino]-5H-benzo[c][1,8]naphthyridin-6-one has a molecular weight of 367.41 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylpyrazol-3-yl)anilino]-5H-benzo[c][1,8]naphthyridin-6-one is sourced from PubChem (CID 58168277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).