6-(ethylamino)-9-(1-methylpyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one

C18H17N5O — CID 25098080

IUPAC6-(ethylamino)-9-(1-methylpyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one
SMILESCCNc1nc2cc[nH]c(=O)c2c2cc(-c3cnn(C)c3)ccc12
InChIInChI=1S/C18H17N5O/c1-3-19-17-13-5-4-11(12-9-21-23(2)10-12)8-14(13)16-15(22-17)6-7-20-18(16)24/h4-10H,3H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyFBJRSHBOEAIJPZ-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.91
Rot. Bonds3

About 6-(ethylamino)-9-(1-methylpyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one

6-(ethylamino)-9-(1-methylpyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one (PubChem CID 25098080) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 6-(ethylamino)-9-(1-methylpyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one.

Molecular Properties

Compound Name6-(ethylamino)-9-(1-methylpyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one
PubChem CID25098080
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name6-(ethylamino)-9-(1-methylpyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one
SMILESCCNc1nc2cc[nH]c(=O)c2c2cc(-c3cnn(C)c3)ccc12
InChIInChI=1S/C18H17N5O/c1-3-19-17-13-5-4-11(12-9-21-23(2)10-12)8-14(13)16-15(22-17)6-7-20-18(16)24/h4-10H,3H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyFBJRSHBOEAIJPZ-UHFFFAOYSA-N
XLogP2.91
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.91
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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Related Compounds

6-[[(Z)-2-(ethylideneamino)pent-2-enyl]amino]-9-(1-methylpyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one
CID 145475402
9-(1-methylpyrazol-4-yl)-6-[[(3S)-piperidin-3-yl]amino]-2H-benzo[c][1,6]naphthyridin-1-one
CID 25097514
9-bromo-6-[(2-methylpyrazol-3-yl)methylamino]-2H-benzo[c][1,6]naphthyridin-1-one
CID 25094963
5-[2,6-dichloro-4-[(1S)-1-hydroxyethyl]anilino]-9-(1-methylpyrazol-4-yl)-2H-benzo[h][2,6]naphthyridin-1-one
CID 59435995
6-(3,3-dimethylbutan-2-ylamino)-9-phenyl-2H-benzo[c][1,6]naphthyridin-1-one
CID 70878022
6-[(3-amino-2,2-dimethylpropyl)amino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one
CID 52946111
4-N-butyl-6-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine
CID 71041843
6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one
CID 25096274
3-iodo-5-(1-methylpyrazol-4-yl)-2H-indazole
CID 90391133
4-[[(9-fluoro-1-oxo-2H-benzo[c][1,6]naphthyridin-6-yl)amino]methyl]benzaldehyde
CID 145475445
9-chloro-4-(1-methylpyrazol-4-yl)-2H-benzo[h]isoquinolin-1-one
CID 15983766
2-ethyl-4-(1-methylpyrazol-4-yl)aniline
CID 81288941

Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-9-(1-methylpyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one?
The IUPAC name of 6-(ethylamino)-9-(1-methylpyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one (CID 25098080) is 6-(ethylamino)-9-(1-methylpyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one.
What is the SMILES notation for 6-(ethylamino)-9-(1-methylpyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one?
The canonical SMILES for 6-(ethylamino)-9-(1-methylpyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one is CCNc1nc2cc[nH]c(=O)c2c2cc(-c3cnn(C)c3)ccc12.
What is the InChIKey of 6-(ethylamino)-9-(1-methylpyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one?
The InChIKey is FBJRSHBOEAIJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-3-19-17-13-5-4-11(12-9-21-23(2)10-12)8-14(13)16-15(22-17)6-7-20-18(16)24/h4-10H,3H2,1-2H3,(H,19,22)(H,20,24).
What are the key properties of 6-(ethylamino)-9-(1-methylpyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one?
6-(ethylamino)-9-(1-methylpyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one has a molecular weight of 319.37 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-9-(1-methylpyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one is sourced from PubChem (CID 25098080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).