9-methyl-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one

C24H19N3O2 — CID 118148085

IUPAC9-methyl-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one
SMILESC=CC(=O)N1CCc2ccc(-n3c(=O)ccc4cnc5ccc(C)cc5c43)cc21
InChIInChI=1S/C24H19N3O2/c1-3-22(28)26-11-10-16-5-7-18(13-21(16)26)27-23(29)9-6-17-14-25-20-8-4-15(2)12-19(20)24(17)27/h3-9,12-14H,1,10-11H2,2H3
InChIKeyQFPXNQLUNBGUOH-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.92
Rot. Bonds2

About 9-methyl-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one

9-methyl-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one (PubChem CID 118148085) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 9-methyl-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one.

Molecular Properties

Compound Name9-methyl-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one
PubChem CID118148085
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name9-methyl-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one
SMILESC=CC(=O)N1CCc2ccc(-n3c(=O)ccc4cnc5ccc(C)cc5c43)cc21
InChIInChI=1S/C24H19N3O2/c1-3-22(28)26-11-10-16-5-7-18(13-21(16)26)27-23(29)9-6-17-14-25-20-8-4-15(2)12-19(20)24(17)27/h3-9,12-14H,1,10-11H2,2H3
InChIKeyQFPXNQLUNBGUOH-UHFFFAOYSA-N
XLogP3.92
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-methyl-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one?
The IUPAC name of 9-methyl-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one (CID 118148085) is 9-methyl-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one.
What is the SMILES notation for 9-methyl-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one?
The canonical SMILES for 9-methyl-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one is C=CC(=O)N1CCc2ccc(-n3c(=O)ccc4cnc5ccc(C)cc5c43)cc21.
What is the InChIKey of 9-methyl-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one?
The InChIKey is QFPXNQLUNBGUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c1-3-22(28)26-11-10-16-5-7-18(13-21(16)26)27-23(29)9-6-17-14-25-20-8-4-15(2)12-19(20)24(17)27/h3-9,12-14H,1,10-11H2,2H3.
What are the key properties of 9-methyl-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one?
9-methyl-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one has a molecular weight of 381.44 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one is sourced from PubChem (CID 118148085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).