6-[[(Z)-2-(ethylideneamino)pent-2-enyl]amino]-9-(1-methylpyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one

C23H24N6O — CID 145475402

IUPAC6-[[(Z)-2-(ethylideneamino)pent-2-enyl]amino]-9-(1-methylpyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one
SMILESC/C=N/C(=C\CC)CNc1nc2cc[nH]c(=O)c2c2cc(-c3cnn(C)c3)ccc12
InChIInChI=1S/C23H24N6O/c1-4-6-17(24-5-2)13-26-22-18-8-7-15(16-12-27-29(3)14-16)11-19(18)21-20(28-22)9-10-25-23(21)30/h5-12,14H,4,13H2,1-3H3,(H,25,30)(H,26,28)/b17-6-,24-5+
InChIKeyHGQRHIFECIJYEC-XBBKMMLOSA-N
MW400.49 g/mol
LogP4.27
Rot. Bonds6

About 6-[[(Z)-2-(ethylideneamino)pent-2-enyl]amino]-9-(1-methylpyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one

6-[[(Z)-2-(ethylideneamino)pent-2-enyl]amino]-9-(1-methylpyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one (PubChem CID 145475402) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 6-[[(Z)-2-(ethylideneamino)pent-2-enyl]amino]-9-(1-methylpyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one.

Molecular Properties

Compound Name6-[[(Z)-2-(ethylideneamino)pent-2-enyl]amino]-9-(1-methylpyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one
PubChem CID145475402
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name6-[[(Z)-2-(ethylideneamino)pent-2-enyl]amino]-9-(1-methylpyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one
SMILESC/C=N/C(=C\CC)CNc1nc2cc[nH]c(=O)c2c2cc(-c3cnn(C)c3)ccc12
InChIInChI=1S/C23H24N6O/c1-4-6-17(24-5-2)13-26-22-18-8-7-15(16-12-27-29(3)14-16)11-19(18)21-20(28-22)9-10-25-23(21)30/h5-12,14H,4,13H2,1-3H3,(H,25,30)(H,26,28)/b17-6-,24-5+
InChIKeyHGQRHIFECIJYEC-XBBKMMLOSA-N
XLogP4.27
TPSA87.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[(Z)-2-(ethylideneamino)pent-2-enyl]amino]-9-(1-methylpyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one?
The IUPAC name of 6-[[(Z)-2-(ethylideneamino)pent-2-enyl]amino]-9-(1-methylpyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one (CID 145475402) is 6-[[(Z)-2-(ethylideneamino)pent-2-enyl]amino]-9-(1-methylpyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one.
What is the SMILES notation for 6-[[(Z)-2-(ethylideneamino)pent-2-enyl]amino]-9-(1-methylpyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one?
The canonical SMILES for 6-[[(Z)-2-(ethylideneamino)pent-2-enyl]amino]-9-(1-methylpyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one is C/C=N/C(=C\CC)CNc1nc2cc[nH]c(=O)c2c2cc(-c3cnn(C)c3)ccc12.
What is the InChIKey of 6-[[(Z)-2-(ethylideneamino)pent-2-enyl]amino]-9-(1-methylpyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one?
The InChIKey is HGQRHIFECIJYEC-XBBKMMLOSA-N. The full InChI is InChI=1S/C23H24N6O/c1-4-6-17(24-5-2)13-26-22-18-8-7-15(16-12-27-29(3)14-16)11-19(18)21-20(28-22)9-10-25-23(21)30/h5-12,14H,4,13H2,1-3H3,(H,25,30)(H,26,28)/b17-6-,24-5+.
What are the key properties of 6-[[(Z)-2-(ethylideneamino)pent-2-enyl]amino]-9-(1-methylpyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one?
6-[[(Z)-2-(ethylideneamino)pent-2-enyl]amino]-9-(1-methylpyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one has a molecular weight of 400.49 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(Z)-2-(ethylideneamino)pent-2-enyl]amino]-9-(1-methylpyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one is sourced from PubChem (CID 145475402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).