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

C21H18N6O2 — CID 122599355

IUPAC7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-pyridin-2-ylimidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1ccccn1)c(=O)n3C
InChIInChI=1S/C21H18N6O2/c1-25-12-13(10-24-25)14-8-15-16(9-18(14)29-3)23-11-17-20(15)27(21(28)26(17)2)19-6-4-5-7-22-19/h4-12H,1-3H3
InChIKeyINJDHCOBEUZXPE-UHFFFAOYSA-N
MW386.42 g/mol
LogP2.68
Rot. Bonds3

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

7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-pyridin-2-ylimidazo[4,5-c]quinolin-2-one (PubChem CID 122599355) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is 7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-pyridin-2-ylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-pyridin-2-ylimidazo[4,5-c]quinolin-2-one
PubChem CID122599355
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC Name7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-pyridin-2-ylimidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1ccccn1)c(=O)n3C
InChIInChI=1S/C21H18N6O2/c1-25-12-13(10-24-25)14-8-15-16(9-18(14)29-3)23-11-17-20(15)27(21(28)26(17)2)19-6-4-5-7-22-19/h4-12H,1-3H3
InChIKeyINJDHCOBEUZXPE-UHFFFAOYSA-N
XLogP2.68
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-pyridin-2-ylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-pyridin-2-ylimidazo[4,5-c]quinolin-2-one (CID 122599355) is 7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-pyridin-2-ylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-pyridin-2-ylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-pyridin-2-ylimidazo[4,5-c]quinolin-2-one is COc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1ccccn1)c(=O)n3C.
What is the InChIKey of 7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-pyridin-2-ylimidazo[4,5-c]quinolin-2-one?
The InChIKey is INJDHCOBEUZXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c1-25-12-13(10-24-25)14-8-15-16(9-18(14)29-3)23-11-17-20(15)27(21(28)26(17)2)19-6-4-5-7-22-19/h4-12H,1-3H3.
What are the key properties of 7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-pyridin-2-ylimidazo[4,5-c]quinolin-2-one?
7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-pyridin-2-ylimidazo[4,5-c]quinolin-2-one has a molecular weight of 386.42 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-1-pyridin-2-ylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 122599355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).