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

C24H24BrN5O2 — CID 130230431

IUPAC3-[[7-bromo-4-(cyclopentylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2nc(OCC3CCCC3)c3ccc(Br)cc3n2)c2cnccc2n1C1CC1
InChIInChI=1S/C24H24BrN5O2/c25-16-5-8-18-19(11-16)27-22(28-23(18)32-14-15-3-1-2-4-15)13-29-21-12-26-10-9-20(21)30(24(29)31)17-6-7-17/h5,8-12,15,17H,1-4,6-7,13-14H2
InChIKeyFMWYWLAUOZZWFB-UHFFFAOYSA-N
MW494.39 g/mol
LogP4.86
Rot. Bonds6

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

3-[[7-bromo-4-(cyclopentylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one (PubChem CID 130230431) has the molecular formula C24H24BrN5O2 and a molecular weight of 494.39 g/mol. Its IUPAC name is 3-[[7-bromo-4-(cyclopentylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name3-[[7-bromo-4-(cyclopentylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
PubChem CID130230431
Molecular FormulaC24H24BrN5O2
Molecular Weight494.39 g/mol
Exact Mass493.11
IUPAC Name3-[[7-bromo-4-(cyclopentylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2nc(OCC3CCCC3)c3ccc(Br)cc3n2)c2cnccc2n1C1CC1
InChIInChI=1S/C24H24BrN5O2/c25-16-5-8-18-19(11-16)27-22(28-23(18)32-14-15-3-1-2-4-15)13-29-21-12-26-10-9-20(21)30(24(29)31)17-6-7-17/h5,8-12,15,17H,1-4,6-7,13-14H2
InChIKeyFMWYWLAUOZZWFB-UHFFFAOYSA-N
XLogP4.86
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.39
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[7-bromo-4-(cyclopentylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The IUPAC name of 3-[[7-bromo-4-(cyclopentylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one (CID 130230431) is 3-[[7-bromo-4-(cyclopentylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 3-[[7-bromo-4-(cyclopentylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 3-[[7-bromo-4-(cyclopentylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one is O=c1n(Cc2nc(OCC3CCCC3)c3ccc(Br)cc3n2)c2cnccc2n1C1CC1.
What is the InChIKey of 3-[[7-bromo-4-(cyclopentylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The InChIKey is FMWYWLAUOZZWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN5O2/c25-16-5-8-18-19(11-16)27-22(28-23(18)32-14-15-3-1-2-4-15)13-29-21-12-26-10-9-20(21)30(24(29)31)17-6-7-17/h5,8-12,15,17H,1-4,6-7,13-14H2.
What are the key properties of 3-[[7-bromo-4-(cyclopentylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
3-[[7-bromo-4-(cyclopentylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one has a molecular weight of 494.39 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-bromo-4-(cyclopentylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 130230431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).