2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-4-(oxolan-3-ylmethoxy)quinazoline-7-carbonitrile

C24H22N6O3 — CID 118058678

IUPAC2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-4-(oxolan-3-ylmethoxy)quinazoline-7-carbonitrile
SMILESN#Cc1ccc2c(OCC3CCOC3)nc(Cn3c(=O)n(C4CC4)c4ccncc43)nc2c1
InChIInChI=1S/C24H22N6O3/c25-10-15-1-4-18-19(9-15)27-22(28-23(18)33-14-16-6-8-32-13-16)12-29-21-11-26-7-5-20(21)30(24(29)31)17-2-3-17/h1,4-5,7,9,11,16-17H,2-3,6,8,12-14H2
InChIKeyLJQJRXPSVRLJFF-UHFFFAOYSA-N
MW442.48 g/mol
LogP2.81
Rot. Bonds6

About 2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-4-(oxolan-3-ylmethoxy)quinazoline-7-carbonitrile

2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-4-(oxolan-3-ylmethoxy)quinazoline-7-carbonitrile (PubChem CID 118058678) has the molecular formula C24H22N6O3 and a molecular weight of 442.48 g/mol. Its IUPAC name is 2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-4-(oxolan-3-ylmethoxy)quinazoline-7-carbonitrile.

Molecular Properties

Compound Name2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-4-(oxolan-3-ylmethoxy)quinazoline-7-carbonitrile
PubChem CID118058678
Molecular FormulaC24H22N6O3
Molecular Weight442.48 g/mol
Exact Mass442.18
IUPAC Name2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-4-(oxolan-3-ylmethoxy)quinazoline-7-carbonitrile
SMILESN#Cc1ccc2c(OCC3CCOC3)nc(Cn3c(=O)n(C4CC4)c4ccncc43)nc2c1
InChIInChI=1S/C24H22N6O3/c25-10-15-1-4-18-19(9-15)27-22(28-23(18)33-14-16-6-8-32-13-16)12-29-21-11-26-7-5-20(21)30(24(29)31)17-2-3-17/h1,4-5,7,9,11,16-17H,2-3,6,8,12-14H2
InChIKeyLJQJRXPSVRLJFF-UHFFFAOYSA-N
XLogP2.81
TPSA107.85 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-4-(oxolan-3-ylmethoxy)quinazoline-7-carbonitrile?
The IUPAC name of 2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-4-(oxolan-3-ylmethoxy)quinazoline-7-carbonitrile (CID 118058678) is 2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-4-(oxolan-3-ylmethoxy)quinazoline-7-carbonitrile.
What is the SMILES notation for 2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-4-(oxolan-3-ylmethoxy)quinazoline-7-carbonitrile?
The canonical SMILES for 2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-4-(oxolan-3-ylmethoxy)quinazoline-7-carbonitrile is N#Cc1ccc2c(OCC3CCOC3)nc(Cn3c(=O)n(C4CC4)c4ccncc43)nc2c1.
What is the InChIKey of 2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-4-(oxolan-3-ylmethoxy)quinazoline-7-carbonitrile?
The InChIKey is LJQJRXPSVRLJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O3/c25-10-15-1-4-18-19(9-15)27-22(28-23(18)33-14-16-6-8-32-13-16)12-29-21-11-26-7-5-20(21)30(24(29)31)17-2-3-17/h1,4-5,7,9,11,16-17H,2-3,6,8,12-14H2.
What are the key properties of 2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-4-(oxolan-3-ylmethoxy)quinazoline-7-carbonitrile?
2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-4-(oxolan-3-ylmethoxy)quinazoline-7-carbonitrile has a molecular weight of 442.48 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-4-(oxolan-3-ylmethoxy)quinazoline-7-carbonitrile is sourced from PubChem (CID 118058678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).