1-[3-[4-amino-2-(2-methoxyethyl)-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]propyl]pyrrolidin-2-one

C25H28N6O2 — CID 66700243

IUPAC1-[3-[4-amino-2-(2-methoxyethyl)-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]propyl]pyrrolidin-2-one
SMILESCOCCc1nc2c(N)nc3ccc(-c4cccnc4)cc3c2n1CCCN1CCCC1=O
InChIInChI=1S/C25H28N6O2/c1-33-14-9-21-29-23-24(31(21)13-4-12-30-11-3-6-22(30)32)19-15-17(18-5-2-10-27-16-18)7-8-20(19)28-25(23)26/h2,5,7-8,10,15-16H,3-4,6,9,11-14H2,1H3,(H2,26,28)
InChIKeyYRHKETWGGOXBTO-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.43
Rot. Bonds8

About 1-[3-[4-amino-2-(2-methoxyethyl)-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]propyl]pyrrolidin-2-one

1-[3-[4-amino-2-(2-methoxyethyl)-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]propyl]pyrrolidin-2-one (PubChem CID 66700243) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 1-[3-[4-amino-2-(2-methoxyethyl)-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[4-amino-2-(2-methoxyethyl)-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]propyl]pyrrolidin-2-one
PubChem CID66700243
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name1-[3-[4-amino-2-(2-methoxyethyl)-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]propyl]pyrrolidin-2-one
SMILESCOCCc1nc2c(N)nc3ccc(-c4cccnc4)cc3c2n1CCCN1CCCC1=O
InChIInChI=1S/C25H28N6O2/c1-33-14-9-21-29-23-24(31(21)13-4-12-30-11-3-6-22(30)32)19-15-17(18-5-2-10-27-16-18)7-8-20(19)28-25(23)26/h2,5,7-8,10,15-16H,3-4,6,9,11-14H2,1H3,(H2,26,28)
InChIKeyYRHKETWGGOXBTO-UHFFFAOYSA-N
XLogP3.43
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-amino-2-(2-methoxyethyl)-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[4-amino-2-(2-methoxyethyl)-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]propyl]pyrrolidin-2-one (CID 66700243) is 1-[3-[4-amino-2-(2-methoxyethyl)-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[4-amino-2-(2-methoxyethyl)-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[4-amino-2-(2-methoxyethyl)-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]propyl]pyrrolidin-2-one is COCCc1nc2c(N)nc3ccc(-c4cccnc4)cc3c2n1CCCN1CCCC1=O.
What is the InChIKey of 1-[3-[4-amino-2-(2-methoxyethyl)-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]propyl]pyrrolidin-2-one?
The InChIKey is YRHKETWGGOXBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-33-14-9-21-29-23-24(31(21)13-4-12-30-11-3-6-22(30)32)19-15-17(18-5-2-10-27-16-18)7-8-20(19)28-25(23)26/h2,5,7-8,10,15-16H,3-4,6,9,11-14H2,1H3,(H2,26,28).
What are the key properties of 1-[3-[4-amino-2-(2-methoxyethyl)-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]propyl]pyrrolidin-2-one?
1-[3-[4-amino-2-(2-methoxyethyl)-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]propyl]pyrrolidin-2-one has a molecular weight of 444.54 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-amino-2-(2-methoxyethyl)-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 66700243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).