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

C24H23BrN6O3 — CID 130230462

IUPAC3-[[7-bromo-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
SMILESO=C1CCCN1CCOc1nc(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Br)ccc12
InChIInChI=1S/C24H23BrN6O3/c25-15-3-6-17-18(12-15)27-21(28-23(17)34-11-10-29-9-1-2-22(29)32)14-30-20-13-26-8-7-19(20)31(24(30)33)16-4-5-16/h3,6-8,12-13,16H,1-2,4-5,9-11,14H2
InChIKeyPNJVMOXMERKQGP-UHFFFAOYSA-N
MW523.39 g/mol
LogP3.29
Rot. Bonds7

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

3-[[7-bromo-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one (PubChem CID 130230462) has the molecular formula C24H23BrN6O3 and a molecular weight of 523.39 g/mol. Its IUPAC name is 3-[[7-bromo-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name3-[[7-bromo-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
PubChem CID130230462
Molecular FormulaC24H23BrN6O3
Molecular Weight523.39 g/mol
Exact Mass522.10
IUPAC Name3-[[7-bromo-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
SMILESO=C1CCCN1CCOc1nc(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Br)ccc12
InChIInChI=1S/C24H23BrN6O3/c25-15-3-6-17-18(12-15)27-21(28-23(17)34-11-10-29-9-1-2-22(29)32)14-30-20-13-26-8-7-19(20)31(24(30)33)16-4-5-16/h3,6-8,12-13,16H,1-2,4-5,9-11,14H2
InChIKeyPNJVMOXMERKQGP-UHFFFAOYSA-N
XLogP3.29
TPSA95.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.39
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[7-bromo-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The IUPAC name of 3-[[7-bromo-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one (CID 130230462) is 3-[[7-bromo-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 3-[[7-bromo-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 3-[[7-bromo-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one is O=C1CCCN1CCOc1nc(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Br)ccc12.
What is the InChIKey of 3-[[7-bromo-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The InChIKey is PNJVMOXMERKQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN6O3/c25-15-3-6-17-18(12-15)27-21(28-23(17)34-11-10-29-9-1-2-22(29)32)14-30-20-13-26-8-7-19(20)31(24(30)33)16-4-5-16/h3,6-8,12-13,16H,1-2,4-5,9-11,14H2.
What are the key properties of 3-[[7-bromo-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
3-[[7-bromo-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one has a molecular weight of 523.39 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-bromo-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 130230462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).