1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-(1,3-thiazol-4-yl)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one

C26H24N6O3S — CID 118058650

IUPAC1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-(1,3-thiazol-4-yl)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2nc(OCC3CCOC3)c3cc(-c4cscn4)ccc3n2)c2cnccc2n1C1CC1
InChIInChI=1S/C26H24N6O3S/c33-26-31(23-10-27-7-5-22(23)32(26)18-2-3-18)11-24-29-20-4-1-17(21-14-36-15-28-21)9-19(20)25(30-24)35-13-16-6-8-34-12-16/h1,4-5,7,9-10,14-16,18H,2-3,6,8,11-13H2
InChIKeyMZHQUKYJRBLYIR-UHFFFAOYSA-N
MW500.58 g/mol
LogP4.06
Rot. Bonds7

About 1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-(1,3-thiazol-4-yl)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one

1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-(1,3-thiazol-4-yl)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (PubChem CID 118058650) has the molecular formula C26H24N6O3S and a molecular weight of 500.58 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-(1,3-thiazol-4-yl)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-(1,3-thiazol-4-yl)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
PubChem CID118058650
Molecular FormulaC26H24N6O3S
Molecular Weight500.58 g/mol
Exact Mass500.16
IUPAC Name1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-(1,3-thiazol-4-yl)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2nc(OCC3CCOC3)c3cc(-c4cscn4)ccc3n2)c2cnccc2n1C1CC1
InChIInChI=1S/C26H24N6O3S/c33-26-31(23-10-27-7-5-22(23)32(26)18-2-3-18)11-24-29-20-4-1-17(21-14-36-15-28-21)9-19(20)25(30-24)35-13-16-6-8-34-12-16/h1,4-5,7,9-10,14-16,18H,2-3,6,8,11-13H2
InChIKeyMZHQUKYJRBLYIR-UHFFFAOYSA-N
XLogP4.06
TPSA96.95 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.58
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-(1,3-thiazol-4-yl)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-(1,3-thiazol-4-yl)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-(1,3-thiazol-4-yl)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (CID 118058650) is 1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-(1,3-thiazol-4-yl)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-(1,3-thiazol-4-yl)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-(1,3-thiazol-4-yl)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is O=c1n(Cc2nc(OCC3CCOC3)c3cc(-c4cscn4)ccc3n2)c2cnccc2n1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-(1,3-thiazol-4-yl)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The InChIKey is MZHQUKYJRBLYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O3S/c33-26-31(23-10-27-7-5-22(23)32(26)18-2-3-18)11-24-29-20-4-1-17(21-14-36-15-28-21)9-19(20)25(30-24)35-13-16-6-8-34-12-16/h1,4-5,7,9-10,14-16,18H,2-3,6,8,11-13H2.
What are the key properties of 1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-(1,3-thiazol-4-yl)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-(1,3-thiazol-4-yl)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 500.58 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-(1,3-thiazol-4-yl)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 118058650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).