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

C23H21FN6O3 — CID 153187633

IUPAC1-(3-ethoxy-5-fluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCCOc1cncc(F)c1-n1c(=O)n(C)c2cnc3cc(OC)c(-c4cnn(C)c4)cc3c21
InChIInChI=1S/C23H21FN6O3/c1-5-33-20-11-25-9-16(24)22(20)30-21-15-6-14(13-8-27-28(2)12-13)19(32-4)7-17(15)26-10-18(21)29(3)23(30)31/h6-12H,5H2,1-4H3
InChIKeyWHJZEDPHQJHHQP-UHFFFAOYSA-N
MW448.46 g/mol
LogP3.22
Rot. Bonds5

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

1-(3-ethoxy-5-fluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 153187633) has the molecular formula C23H21FN6O3 and a molecular weight of 448.46 g/mol. Its IUPAC name is 1-(3-ethoxy-5-fluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(3-ethoxy-5-fluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID153187633
Molecular FormulaC23H21FN6O3
Molecular Weight448.46 g/mol
Exact Mass448.17
IUPAC Name1-(3-ethoxy-5-fluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCCOc1cncc(F)c1-n1c(=O)n(C)c2cnc3cc(OC)c(-c4cnn(C)c4)cc3c21
InChIInChI=1S/C23H21FN6O3/c1-5-33-20-11-25-9-16(24)22(20)30-21-15-6-14(13-8-27-28(2)12-13)19(32-4)7-17(15)26-10-18(21)29(3)23(30)31/h6-12H,5H2,1-4H3
InChIKeyWHJZEDPHQJHHQP-UHFFFAOYSA-N
XLogP3.22
TPSA88.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.46
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-5-fluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(3-ethoxy-5-fluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (CID 153187633) is 1-(3-ethoxy-5-fluoro-4-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-ethoxy-5-fluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(3-ethoxy-5-fluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is CCOc1cncc(F)c1-n1c(=O)n(C)c2cnc3cc(OC)c(-c4cnn(C)c4)cc3c21.
What is the InChIKey of 1-(3-ethoxy-5-fluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is WHJZEDPHQJHHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O3/c1-5-33-20-11-25-9-16(24)22(20)30-21-15-6-14(13-8-27-28(2)12-13)19(32-4)7-17(15)26-10-18(21)29(3)23(30)31/h6-12H,5H2,1-4H3.
What are the key properties of 1-(3-ethoxy-5-fluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
1-(3-ethoxy-5-fluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 448.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-5-fluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 153187633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).