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

C23H22BrN5O3 — CID 130230483

IUPAC3-[[7-bromo-4-(oxolan-2-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2nc(OCC3CCCO3)c3ccc(Br)cc3n2)c2cnccc2n1C1CC1
InChIInChI=1S/C23H22BrN5O3/c24-14-3-6-17-18(10-14)26-21(27-22(17)32-13-16-2-1-9-31-16)12-28-20-11-25-8-7-19(20)29(23(28)30)15-4-5-15/h3,6-8,10-11,15-16H,1-2,4-5,9,12-13H2
InChIKeyFJZTVVONBJRYNO-UHFFFAOYSA-N
MW496.37 g/mol
LogP3.84
Rot. Bonds6

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

3-[[7-bromo-4-(oxolan-2-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one (PubChem CID 130230483) has the molecular formula C23H22BrN5O3 and a molecular weight of 496.37 g/mol. Its IUPAC name is 3-[[7-bromo-4-(oxolan-2-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name3-[[7-bromo-4-(oxolan-2-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
PubChem CID130230483
Molecular FormulaC23H22BrN5O3
Molecular Weight496.37 g/mol
Exact Mass495.09
IUPAC Name3-[[7-bromo-4-(oxolan-2-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2nc(OCC3CCCO3)c3ccc(Br)cc3n2)c2cnccc2n1C1CC1
InChIInChI=1S/C23H22BrN5O3/c24-14-3-6-17-18(10-14)26-21(27-22(17)32-13-16-2-1-9-31-16)12-28-20-11-25-8-7-19(20)29(23(28)30)15-4-5-15/h3,6-8,10-11,15-16H,1-2,4-5,9,12-13H2
InChIKeyFJZTVVONBJRYNO-UHFFFAOYSA-N
XLogP3.84
TPSA84.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.37
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[[7-bromo-4-(oxolan-2-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one with MolForge

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Related Compounds

3-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 118058548
1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 118058563
3-[[8-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 118058564
1-cyclopropyl-3-[[4-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 130230374
5-bromo-2-(oxolan-2-ylmethoxy)pyridin-3-amine
CID 61228294
3-[(4-bromoisoquinolin-3-yl)methyl]-1-(1-ethylpiperidin-4-yl)imidazo[4,5-c]pyridin-2-one
CID 163900066
1-cyclopropyl-3-[[1-(4-fluorobutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 122520262
3-bromo-5-chloro-2-(oxolan-2-ylmethoxy)pyridine
CID 114837569
3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 88544945
1-cyclopropyl-3-[(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazo[4,5-c]pyridin-2-one
CID 67987627
1-cyclopropyl-3-[[3-(4-hydroxybutyl)imidazo[1,2-a]pyrazin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 57410250
N-[[5-bromo-2-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]ethanamine
CID 62292146

Frequently Asked Questions

What is the IUPAC name of 3-[[7-bromo-4-(oxolan-2-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The IUPAC name of 3-[[7-bromo-4-(oxolan-2-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one (CID 130230483) is 3-[[7-bromo-4-(oxolan-2-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 3-[[7-bromo-4-(oxolan-2-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 3-[[7-bromo-4-(oxolan-2-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one is O=c1n(Cc2nc(OCC3CCCO3)c3ccc(Br)cc3n2)c2cnccc2n1C1CC1.
What is the InChIKey of 3-[[7-bromo-4-(oxolan-2-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The InChIKey is FJZTVVONBJRYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrN5O3/c24-14-3-6-17-18(10-14)26-21(27-22(17)32-13-16-2-1-9-31-16)12-28-20-11-25-8-7-19(20)29(23(28)30)15-4-5-15/h3,6-8,10-11,15-16H,1-2,4-5,9,12-13H2.
What are the key properties of 3-[[7-bromo-4-(oxolan-2-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
3-[[7-bromo-4-(oxolan-2-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one has a molecular weight of 496.37 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-bromo-4-(oxolan-2-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 130230483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).