1-cyclopropyl-3-[[8-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one

C24H25N5O3 — CID 118058610

IUPAC1-cyclopropyl-3-[[8-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESCc1cccc2c(OCC3CCOC3)nc(Cn3c(=O)n(C4CC4)c4ccncc43)nc12
InChIInChI=1S/C24H25N5O3/c1-15-3-2-4-18-22(15)26-21(27-23(18)32-14-16-8-10-31-13-16)12-28-20-11-25-9-7-19(20)29(24(28)30)17-5-6-17/h2-4,7,9,11,16-17H,5-6,8,10,12-14H2,1H3
InChIKeyHBXXCEAXGJCJTM-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.25
Rot. Bonds6

About 1-cyclopropyl-3-[[8-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one

1-cyclopropyl-3-[[8-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (PubChem CID 118058610) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[8-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[[8-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
PubChem CID118058610
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name1-cyclopropyl-3-[[8-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESCc1cccc2c(OCC3CCOC3)nc(Cn3c(=O)n(C4CC4)c4ccncc43)nc12
InChIInChI=1S/C24H25N5O3/c1-15-3-2-4-18-22(15)26-21(27-23(18)32-14-16-8-10-31-13-16)12-28-20-11-25-9-7-19(20)29(24(28)30)17-5-6-17/h2-4,7,9,11,16-17H,5-6,8,10,12-14H2,1H3
InChIKeyHBXXCEAXGJCJTM-UHFFFAOYSA-N
XLogP3.25
TPSA84.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[8-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-cyclopropyl-3-[[8-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (CID 118058610) is 1-cyclopropyl-3-[[8-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[[8-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[[8-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is Cc1cccc2c(OCC3CCOC3)nc(Cn3c(=O)n(C4CC4)c4ccncc43)nc12.
What is the InChIKey of 1-cyclopropyl-3-[[8-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The InChIKey is HBXXCEAXGJCJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-15-3-2-4-18-22(15)26-21(27-23(18)32-14-16-8-10-31-13-16)12-28-20-11-25-9-7-19(20)29(24(28)30)17-5-6-17/h2-4,7,9,11,16-17H,5-6,8,10,12-14H2,1H3.
What are the key properties of 1-cyclopropyl-3-[[8-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
1-cyclopropyl-3-[[8-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 431.50 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[8-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 118058610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).