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

C28H26N6O3 — CID 118058601

IUPAC1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyridin-3-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2nc(OCC3CCOC3)c3cc(-c4cccnc4)ccc3n2)c2cnccc2n1C1CC1
InChIInChI=1S/C28H26N6O3/c35-28-33(25-14-30-10-7-24(25)34(28)21-4-5-21)15-26-31-23-6-3-19(20-2-1-9-29-13-20)12-22(23)27(32-26)37-17-18-8-11-36-16-18/h1-3,6-7,9-10,12-14,18,21H,4-5,8,11,15-17H2
InChIKeyJOWIHQQYIASUBP-UHFFFAOYSA-N
MW494.56 g/mol
LogP4.00
Rot. Bonds7

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

1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyridin-3-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (PubChem CID 118058601) has the molecular formula C28H26N6O3 and a molecular weight of 494.56 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyridin-3-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyridin-3-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
PubChem CID118058601
Molecular FormulaC28H26N6O3
Molecular Weight494.56 g/mol
Exact Mass494.21
IUPAC Name1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyridin-3-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2nc(OCC3CCOC3)c3cc(-c4cccnc4)ccc3n2)c2cnccc2n1C1CC1
InChIInChI=1S/C28H26N6O3/c35-28-33(25-14-30-10-7-24(25)34(28)21-4-5-21)15-26-31-23-6-3-19(20-2-1-9-29-13-20)12-22(23)27(32-26)37-17-18-8-11-36-16-18/h1-3,6-7,9-10,12-14,18,21H,4-5,8,11,15-17H2
InChIKeyJOWIHQQYIASUBP-UHFFFAOYSA-N
XLogP4.00
TPSA96.95 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.56
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyridin-3-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyridin-3-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (CID 118058601) is 1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyridin-3-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyridin-3-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyridin-3-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is O=c1n(Cc2nc(OCC3CCOC3)c3cc(-c4cccnc4)ccc3n2)c2cnccc2n1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyridin-3-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The InChIKey is JOWIHQQYIASUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O3/c35-28-33(25-14-30-10-7-24(25)34(28)21-4-5-21)15-26-31-23-6-3-19(20-2-1-9-29-13-20)12-22(23)27(32-26)37-17-18-8-11-36-16-18/h1-3,6-7,9-10,12-14,18,21H,4-5,8,11,15-17H2.
What are the key properties of 1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyridin-3-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyridin-3-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 494.56 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyridin-3-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 118058601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).