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

C21H17FN6O3 — CID 134325511

IUPAC1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one
SMILESCOc1cnc(-n2c(=O)[nH]c3cnc4cc(OC)c(-c5cnn(C)c5)cc4c32)c(F)c1
InChIInChI=1S/C21H17FN6O3/c1-27-10-11(7-25-27)13-5-14-16(6-18(13)31-3)23-9-17-19(14)28(21(29)26-17)20-15(22)4-12(30-2)8-24-20/h4-10H,1-3H3,(H,26,29)
InChIKeyKPYIHZMRURPJMP-UHFFFAOYSA-N
MW420.40 g/mol
LogP2.82
Rot. Bonds4

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

1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 134325511) has the molecular formula C21H17FN6O3 and a molecular weight of 420.40 g/mol. Its IUPAC name is 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID134325511
Molecular FormulaC21H17FN6O3
Molecular Weight420.40 g/mol
Exact Mass420.13
IUPAC Name1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one
SMILESCOc1cnc(-n2c(=O)[nH]c3cnc4cc(OC)c(-c5cnn(C)c5)cc4c32)c(F)c1
InChIInChI=1S/C21H17FN6O3/c1-27-10-11(7-25-27)13-5-14-16(6-18(13)31-3)23-9-17-19(14)28(21(29)26-17)20-15(22)4-12(30-2)8-24-20/h4-10H,1-3H3,(H,26,29)
InChIKeyKPYIHZMRURPJMP-UHFFFAOYSA-N
XLogP2.82
TPSA99.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one (CID 134325511) is 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one is COc1cnc(-n2c(=O)[nH]c3cnc4cc(OC)c(-c5cnn(C)c5)cc4c32)c(F)c1.
What is the InChIKey of 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is KPYIHZMRURPJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN6O3/c1-27-10-11(7-25-27)13-5-14-16(6-18(13)31-3)23-9-17-19(14)28(21(29)26-17)20-15(22)4-12(30-2)8-24-20/h4-10H,1-3H3,(H,26,29).
What are the key properties of 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one?
1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 420.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 134325511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).