1-(3-fluoro-5-prop-2-enoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one

C24H21FN6O3 — CID 134325540

IUPAC1-(3-fluoro-5-prop-2-enoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESC=CCOc1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(-c5cnn(C)c5)cc4c32)c(F)c1
InChIInChI=1S/C24H21FN6O3/c1-5-6-34-15-7-18(25)23(27-11-15)31-22-17-8-16(14-10-28-29(2)13-14)21(33-4)9-19(17)26-12-20(22)30(3)24(31)32/h5,7-13H,1,6H2,2-4H3
InChIKeyXZPQBRYTEVUZDX-UHFFFAOYSA-N
MW460.47 g/mol
LogP3.39
Rot. Bonds6

About 1-(3-fluoro-5-prop-2-enoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one

1-(3-fluoro-5-prop-2-enoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 134325540) has the molecular formula C24H21FN6O3 and a molecular weight of 460.47 g/mol. Its IUPAC name is 1-(3-fluoro-5-prop-2-enoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(3-fluoro-5-prop-2-enoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID134325540
Molecular FormulaC24H21FN6O3
Molecular Weight460.47 g/mol
Exact Mass460.17
IUPAC Name1-(3-fluoro-5-prop-2-enoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESC=CCOc1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(-c5cnn(C)c5)cc4c32)c(F)c1
InChIInChI=1S/C24H21FN6O3/c1-5-6-34-15-7-18(25)23(27-11-15)31-22-17-8-16(14-10-28-29(2)13-14)21(33-4)9-19(17)26-12-20(22)30(3)24(31)32/h5,7-13H,1,6H2,2-4H3
InChIKeyXZPQBRYTEVUZDX-UHFFFAOYSA-N
XLogP3.39
TPSA88.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.47
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-prop-2-enoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(3-fluoro-5-prop-2-enoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (CID 134325540) is 1-(3-fluoro-5-prop-2-enoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(3-fluoro-5-prop-2-enoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(3-fluoro-5-prop-2-enoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is C=CCOc1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(-c5cnn(C)c5)cc4c32)c(F)c1.
What is the InChIKey of 1-(3-fluoro-5-prop-2-enoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is XZPQBRYTEVUZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O3/c1-5-6-34-15-7-18(25)23(27-11-15)31-22-17-8-16(14-10-28-29(2)13-14)21(33-4)9-19(17)26-12-20(22)30(3)24(31)32/h5,7-13H,1,6H2,2-4H3.
What are the key properties of 1-(3-fluoro-5-prop-2-enoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
1-(3-fluoro-5-prop-2-enoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 460.47 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-prop-2-enoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 134325540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).