3-[[7-bromo-4-(3-ethoxypropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one

C23H24BrN5O3 — CID 130230482

IUPAC3-[[7-bromo-4-(3-ethoxypropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
SMILESCCOCCCOc1nc(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Br)ccc12
InChIInChI=1S/C23H24BrN5O3/c1-2-31-10-3-11-32-22-17-7-4-15(24)12-18(17)26-21(27-22)14-28-20-13-25-9-8-19(20)29(23(28)30)16-5-6-16/h4,7-9,12-13,16H,2-3,5-6,10-11,14H2,1H3
InChIKeyFEEPRHDVODGARS-UHFFFAOYSA-N
MW498.38 g/mol
LogP4.09
Rot. Bonds9

About 3-[[7-bromo-4-(3-ethoxypropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one

3-[[7-bromo-4-(3-ethoxypropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one (PubChem CID 130230482) has the molecular formula C23H24BrN5O3 and a molecular weight of 498.38 g/mol. Its IUPAC name is 3-[[7-bromo-4-(3-ethoxypropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name3-[[7-bromo-4-(3-ethoxypropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
PubChem CID130230482
Molecular FormulaC23H24BrN5O3
Molecular Weight498.38 g/mol
Exact Mass497.11
IUPAC Name3-[[7-bromo-4-(3-ethoxypropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
SMILESCCOCCCOc1nc(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Br)ccc12
InChIInChI=1S/C23H24BrN5O3/c1-2-31-10-3-11-32-22-17-7-4-15(24)12-18(17)26-21(27-22)14-28-20-13-25-9-8-19(20)29(23(28)30)16-5-6-16/h4,7-9,12-13,16H,2-3,5-6,10-11,14H2,1H3
InChIKeyFEEPRHDVODGARS-UHFFFAOYSA-N
XLogP4.09
TPSA84.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.38
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[7-bromo-4-(3-ethoxypropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The IUPAC name of 3-[[7-bromo-4-(3-ethoxypropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one (CID 130230482) is 3-[[7-bromo-4-(3-ethoxypropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 3-[[7-bromo-4-(3-ethoxypropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 3-[[7-bromo-4-(3-ethoxypropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one is CCOCCCOc1nc(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Br)ccc12.
What is the InChIKey of 3-[[7-bromo-4-(3-ethoxypropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The InChIKey is FEEPRHDVODGARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrN5O3/c1-2-31-10-3-11-32-22-17-7-4-15(24)12-18(17)26-21(27-22)14-28-20-13-25-9-8-19(20)29(23(28)30)16-5-6-16/h4,7-9,12-13,16H,2-3,5-6,10-11,14H2,1H3.
What are the key properties of 3-[[7-bromo-4-(3-ethoxypropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
3-[[7-bromo-4-(3-ethoxypropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one has a molecular weight of 498.38 g/mol, XLogP of 4.09, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-bromo-4-(3-ethoxypropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 130230482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).