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

C23H22N6O2 — CID 122599439

IUPAC1-(3-ethyl-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCCc1cnccc1-n1c(=O)n(C)c2cnc3cc(OC)c(-c4cnn(C)c4)cc3c21
InChIInChI=1S/C23H22N6O2/c1-5-14-10-24-7-6-19(14)29-22-17-8-16(15-11-26-27(2)13-15)21(31-4)9-18(17)25-12-20(22)28(3)23(29)30/h6-13H,5H2,1-4H3
InChIKeyJSEYQZVEPWFSCB-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.24
Rot. Bonds4

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

1-(3-ethyl-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 122599439) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 1-(3-ethyl-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(3-ethyl-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID122599439
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name1-(3-ethyl-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCCc1cnccc1-n1c(=O)n(C)c2cnc3cc(OC)c(-c4cnn(C)c4)cc3c21
InChIInChI=1S/C23H22N6O2/c1-5-14-10-24-7-6-19(14)29-22-17-8-16(15-11-26-27(2)13-15)21(31-4)9-18(17)25-12-20(22)28(3)23(29)30/h6-13H,5H2,1-4H3
InChIKeyJSEYQZVEPWFSCB-UHFFFAOYSA-N
XLogP3.24
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(3-ethyl-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (CID 122599439) is 1-(3-ethyl-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-ethyl-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(3-ethyl-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is CCc1cnccc1-n1c(=O)n(C)c2cnc3cc(OC)c(-c4cnn(C)c4)cc3c21.
What is the InChIKey of 1-(3-ethyl-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is JSEYQZVEPWFSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-5-14-10-24-7-6-19(14)29-22-17-8-16(15-11-26-27(2)13-15)21(31-4)9-18(17)25-12-20(22)28(3)23(29)30/h6-13H,5H2,1-4H3.
What are the key properties of 1-(3-ethyl-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
1-(3-ethyl-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 414.47 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 122599439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).