8-(6-ethoxy-3-pyridinyl)-1-(2-methoxy-6-piperazin-1-yl-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one

C28H29N7O3 — CID 59613060

IUPAC8-(6-ethoxy-3-pyridinyl)-1-(2-methoxy-6-piperazin-1-yl-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCCOc1ccc(-c2ccc3ncc4c(c3c2)n(-c2ccc(N3CCNCC3)nc2OC)c(=O)n4C)cn1
InChIInChI=1S/C28H29N7O3/c1-4-38-25-10-6-19(16-31-25)18-5-7-21-20(15-18)26-23(17-30-21)33(2)28(36)35(26)22-8-9-24(32-27(22)37-3)34-13-11-29-12-14-34/h5-10,15-17,29H,4,11-14H2,1-3H3
InChIKeyQDIMXEOTGBRRHT-UHFFFAOYSA-N
MW511.59 g/mol
LogP3.15
Rot. Bonds6

About 8-(6-ethoxy-3-pyridinyl)-1-(2-methoxy-6-piperazin-1-yl-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one

8-(6-ethoxy-3-pyridinyl)-1-(2-methoxy-6-piperazin-1-yl-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 59613060) has the molecular formula C28H29N7O3 and a molecular weight of 511.59 g/mol. Its IUPAC name is 8-(6-ethoxy-3-pyridinyl)-1-(2-methoxy-6-piperazin-1-yl-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-(6-ethoxy-3-pyridinyl)-1-(2-methoxy-6-piperazin-1-yl-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID59613060
Molecular FormulaC28H29N7O3
Molecular Weight511.59 g/mol
Exact Mass511.23
IUPAC Name8-(6-ethoxy-3-pyridinyl)-1-(2-methoxy-6-piperazin-1-yl-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCCOc1ccc(-c2ccc3ncc4c(c3c2)n(-c2ccc(N3CCNCC3)nc2OC)c(=O)n4C)cn1
InChIInChI=1S/C28H29N7O3/c1-4-38-25-10-6-19(16-31-25)18-5-7-21-20(15-18)26-23(17-30-21)33(2)28(36)35(26)22-8-9-24(32-27(22)37-3)34-13-11-29-12-14-34/h5-10,15-17,29H,4,11-14H2,1-3H3
InChIKeyQDIMXEOTGBRRHT-UHFFFAOYSA-N
XLogP3.15
TPSA99.33 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.59
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 8-(6-ethoxy-3-pyridinyl)-1-(2-methoxy-6-piperazin-1-yl-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-(6-ethoxy-3-pyridinyl)-1-(2-methoxy-6-piperazin-1-yl-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one (CID 59613060) is 8-(6-ethoxy-3-pyridinyl)-1-(2-methoxy-6-piperazin-1-yl-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-(6-ethoxy-3-pyridinyl)-1-(2-methoxy-6-piperazin-1-yl-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-(6-ethoxy-3-pyridinyl)-1-(2-methoxy-6-piperazin-1-yl-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one is CCOc1ccc(-c2ccc3ncc4c(c3c2)n(-c2ccc(N3CCNCC3)nc2OC)c(=O)n4C)cn1.
What is the InChIKey of 8-(6-ethoxy-3-pyridinyl)-1-(2-methoxy-6-piperazin-1-yl-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is QDIMXEOTGBRRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O3/c1-4-38-25-10-6-19(16-31-25)18-5-7-21-20(15-18)26-23(17-30-21)33(2)28(36)35(26)22-8-9-24(32-27(22)37-3)34-13-11-29-12-14-34/h5-10,15-17,29H,4,11-14H2,1-3H3.
What are the key properties of 8-(6-ethoxy-3-pyridinyl)-1-(2-methoxy-6-piperazin-1-yl-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?
8-(6-ethoxy-3-pyridinyl)-1-(2-methoxy-6-piperazin-1-yl-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 511.59 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-ethoxy-3-pyridinyl)-1-(2-methoxy-6-piperazin-1-yl-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59613060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).