3-[[6-bromo-4-(pyridin-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one

C24H19BrN6O2 — CID 118058613

IUPAC3-[[6-bromo-4-(pyridin-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2nc(OCc3cccnc3)c3cc(Br)ccc3n2)c2cnccc2n1C1CC1
InChIInChI=1S/C24H19BrN6O2/c25-16-3-6-19-18(10-16)23(33-14-15-2-1-8-26-11-15)29-22(28-19)13-30-21-12-27-9-7-20(21)31(24(30)32)17-4-5-17/h1-3,6-12,17H,4-5,13-14H2
InChIKeyRSNKKJDZVPYHPR-UHFFFAOYSA-N
MW503.36 g/mol
LogP4.26
Rot. Bonds6

About 3-[[6-bromo-4-(pyridin-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one

3-[[6-bromo-4-(pyridin-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one (PubChem CID 118058613) has the molecular formula C24H19BrN6O2 and a molecular weight of 503.36 g/mol. Its IUPAC name is 3-[[6-bromo-4-(pyridin-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name3-[[6-bromo-4-(pyridin-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
PubChem CID118058613
Molecular FormulaC24H19BrN6O2
Molecular Weight503.36 g/mol
Exact Mass502.08
IUPAC Name3-[[6-bromo-4-(pyridin-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2nc(OCc3cccnc3)c3cc(Br)ccc3n2)c2cnccc2n1C1CC1
InChIInChI=1S/C24H19BrN6O2/c25-16-3-6-19-18(10-16)23(33-14-15-2-1-8-26-11-15)29-22(28-19)13-30-21-12-27-9-7-20(21)31(24(30)32)17-4-5-17/h1-3,6-12,17H,4-5,13-14H2
InChIKeyRSNKKJDZVPYHPR-UHFFFAOYSA-N
XLogP4.26
TPSA87.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.36
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-bromo-4-(pyridin-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The IUPAC name of 3-[[6-bromo-4-(pyridin-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one (CID 118058613) is 3-[[6-bromo-4-(pyridin-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 3-[[6-bromo-4-(pyridin-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 3-[[6-bromo-4-(pyridin-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one is O=c1n(Cc2nc(OCc3cccnc3)c3cc(Br)ccc3n2)c2cnccc2n1C1CC1.
What is the InChIKey of 3-[[6-bromo-4-(pyridin-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The InChIKey is RSNKKJDZVPYHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrN6O2/c25-16-3-6-19-18(10-16)23(33-14-15-2-1-8-26-11-15)29-22(28-19)13-30-21-12-27-9-7-20(21)31(24(30)32)17-4-5-17/h1-3,6-12,17H,4-5,13-14H2.
What are the key properties of 3-[[6-bromo-4-(pyridin-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
3-[[6-bromo-4-(pyridin-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one has a molecular weight of 503.36 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-bromo-4-(pyridin-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 118058613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).