9-[1-(diethylamino)propan-2-yl]-3-fluoro-1-methyl-2H-pyrido[3,4-b]indol-7-one

C19H24FN3O — CID 90460788

IUPAC9-[1-(diethylamino)propan-2-yl]-3-fluoro-1-methyl-2H-pyrido[3,4-b]indol-7-one
SMILESCCN(CC)CC(C)n1c2cc(=O)ccc2c2cc(F)[nH]c(C)c21
InChIInChI=1S/C19H24FN3O/c1-5-22(6-2)11-12(3)23-17-9-14(24)7-8-15(17)16-10-18(20)21-13(4)19(16)23/h7-10,12,21H,5-6,11H2,1-4H3
InChIKeyKQKNDEBZAMGTHN-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.83
Rot. Bonds5

About 9-[1-(diethylamino)propan-2-yl]-3-fluoro-1-methyl-2H-pyrido[3,4-b]indol-7-one

9-[1-(diethylamino)propan-2-yl]-3-fluoro-1-methyl-2H-pyrido[3,4-b]indol-7-one (PubChem CID 90460788) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is 9-[1-(diethylamino)propan-2-yl]-3-fluoro-1-methyl-2H-pyrido[3,4-b]indol-7-one.

Molecular Properties

Compound Name9-[1-(diethylamino)propan-2-yl]-3-fluoro-1-methyl-2H-pyrido[3,4-b]indol-7-one
PubChem CID90460788
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name9-[1-(diethylamino)propan-2-yl]-3-fluoro-1-methyl-2H-pyrido[3,4-b]indol-7-one
SMILESCCN(CC)CC(C)n1c2cc(=O)ccc2c2cc(F)[nH]c(C)c21
InChIInChI=1S/C19H24FN3O/c1-5-22(6-2)11-12(3)23-17-9-14(24)7-8-15(17)16-10-18(20)21-13(4)19(16)23/h7-10,12,21H,5-6,11H2,1-4H3
InChIKeyKQKNDEBZAMGTHN-UHFFFAOYSA-N
XLogP3.83
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[1-(diethylamino)propan-2-yl]-3-fluoro-1-methyl-2H-pyrido[3,4-b]indol-7-one?
The IUPAC name of 9-[1-(diethylamino)propan-2-yl]-3-fluoro-1-methyl-2H-pyrido[3,4-b]indol-7-one (CID 90460788) is 9-[1-(diethylamino)propan-2-yl]-3-fluoro-1-methyl-2H-pyrido[3,4-b]indol-7-one.
What is the SMILES notation for 9-[1-(diethylamino)propan-2-yl]-3-fluoro-1-methyl-2H-pyrido[3,4-b]indol-7-one?
The canonical SMILES for 9-[1-(diethylamino)propan-2-yl]-3-fluoro-1-methyl-2H-pyrido[3,4-b]indol-7-one is CCN(CC)CC(C)n1c2cc(=O)ccc2c2cc(F)[nH]c(C)c21.
What is the InChIKey of 9-[1-(diethylamino)propan-2-yl]-3-fluoro-1-methyl-2H-pyrido[3,4-b]indol-7-one?
The InChIKey is KQKNDEBZAMGTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-5-22(6-2)11-12(3)23-17-9-14(24)7-8-15(17)16-10-18(20)21-13(4)19(16)23/h7-10,12,21H,5-6,11H2,1-4H3.
What are the key properties of 9-[1-(diethylamino)propan-2-yl]-3-fluoro-1-methyl-2H-pyrido[3,4-b]indol-7-one?
9-[1-(diethylamino)propan-2-yl]-3-fluoro-1-methyl-2H-pyrido[3,4-b]indol-7-one has a molecular weight of 329.42 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(diethylamino)propan-2-yl]-3-fluoro-1-methyl-2H-pyrido[3,4-b]indol-7-one is sourced from PubChem (CID 90460788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).