1-(oxolan-2-ylmethyl)-N-(2-pyridin-3-ylethyl)imidazo[4,5-c]cinnoline-8-carboxamide

C22H22N6O2 — CID 134079761

IUPAC1-(oxolan-2-ylmethyl)-N-(2-pyridin-3-ylethyl)imidazo[4,5-c]cinnoline-8-carboxamide
SMILESO=C(NCCc1cccnc1)c1ccc2nnc3ncn(CC4CCCO4)c3c2c1
InChIInChI=1S/C22H22N6O2/c29-22(24-9-7-15-3-1-8-23-12-15)16-5-6-19-18(11-16)20-21(27-26-19)25-14-28(20)13-17-4-2-10-30-17/h1,3,5-6,8,11-12,14,17H,2,4,7,9-10,13H2,(H,24,29)
InChIKeyXJAUDPGJEMLCSO-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.53
Rot. Bonds6

About 1-(oxolan-2-ylmethyl)-N-(2-pyridin-3-ylethyl)imidazo[4,5-c]cinnoline-8-carboxamide

1-(oxolan-2-ylmethyl)-N-(2-pyridin-3-ylethyl)imidazo[4,5-c]cinnoline-8-carboxamide (PubChem CID 134079761) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-N-(2-pyridin-3-ylethyl)imidazo[4,5-c]cinnoline-8-carboxamide.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-N-(2-pyridin-3-ylethyl)imidazo[4,5-c]cinnoline-8-carboxamide
PubChem CID134079761
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name1-(oxolan-2-ylmethyl)-N-(2-pyridin-3-ylethyl)imidazo[4,5-c]cinnoline-8-carboxamide
SMILESO=C(NCCc1cccnc1)c1ccc2nnc3ncn(CC4CCCO4)c3c2c1
InChIInChI=1S/C22H22N6O2/c29-22(24-9-7-15-3-1-8-23-12-15)16-5-6-19-18(11-16)20-21(27-26-19)25-14-28(20)13-17-4-2-10-30-17/h1,3,5-6,8,11-12,14,17H,2,4,7,9-10,13H2,(H,24,29)
InChIKeyXJAUDPGJEMLCSO-UHFFFAOYSA-N
XLogP2.53
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-N-(2-pyridin-3-ylethyl)imidazo[4,5-c]cinnoline-8-carboxamide?
The IUPAC name of 1-(oxolan-2-ylmethyl)-N-(2-pyridin-3-ylethyl)imidazo[4,5-c]cinnoline-8-carboxamide (CID 134079761) is 1-(oxolan-2-ylmethyl)-N-(2-pyridin-3-ylethyl)imidazo[4,5-c]cinnoline-8-carboxamide.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-N-(2-pyridin-3-ylethyl)imidazo[4,5-c]cinnoline-8-carboxamide?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-N-(2-pyridin-3-ylethyl)imidazo[4,5-c]cinnoline-8-carboxamide is O=C(NCCc1cccnc1)c1ccc2nnc3ncn(CC4CCCO4)c3c2c1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-N-(2-pyridin-3-ylethyl)imidazo[4,5-c]cinnoline-8-carboxamide?
The InChIKey is XJAUDPGJEMLCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c29-22(24-9-7-15-3-1-8-23-12-15)16-5-6-19-18(11-16)20-21(27-26-19)25-14-28(20)13-17-4-2-10-30-17/h1,3,5-6,8,11-12,14,17H,2,4,7,9-10,13H2,(H,24,29).
What are the key properties of 1-(oxolan-2-ylmethyl)-N-(2-pyridin-3-ylethyl)imidazo[4,5-c]cinnoline-8-carboxamide?
1-(oxolan-2-ylmethyl)-N-(2-pyridin-3-ylethyl)imidazo[4,5-c]cinnoline-8-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-N-(2-pyridin-3-ylethyl)imidazo[4,5-c]cinnoline-8-carboxamide is sourced from PubChem (CID 134079761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).