1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one

C23H23N5O3 — CID 118058563

IUPAC1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2nc(OCC3CCOC3)c3ccccc3n2)c2cnccc2n1C1CC1
InChIInChI=1S/C23H23N5O3/c29-23-27(20-11-24-9-7-19(20)28(23)16-5-6-16)12-21-25-18-4-2-1-3-17(18)22(26-21)31-14-15-8-10-30-13-15/h1-4,7,9,11,15-16H,5-6,8,10,12-14H2
InChIKeyOAFCKAQHSCDXEY-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.94
Rot. Bonds6

About 1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one

1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (PubChem CID 118058563) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
PubChem CID118058563
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2nc(OCC3CCOC3)c3ccccc3n2)c2cnccc2n1C1CC1
InChIInChI=1S/C23H23N5O3/c29-23-27(20-11-24-9-7-19(20)28(23)16-5-6-16)12-21-25-18-4-2-1-3-17(18)22(26-21)31-14-15-8-10-30-13-15/h1-4,7,9,11,15-16H,5-6,8,10,12-14H2
InChIKeyOAFCKAQHSCDXEY-UHFFFAOYSA-N
XLogP2.94
TPSA84.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (CID 118058563) is 1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is O=c1n(Cc2nc(OCC3CCOC3)c3ccccc3n2)c2cnccc2n1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The InChIKey is OAFCKAQHSCDXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c29-23-27(20-11-24-9-7-19(20)28(23)16-5-6-16)12-21-25-18-4-2-1-3-17(18)22(26-21)31-14-15-8-10-30-13-15/h1-4,7,9,11,15-16H,5-6,8,10,12-14H2.
What are the key properties of 1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 417.47 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 118058563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).