3-[[8-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one

C23H22ClN5O3 — CID 118058564

IUPAC3-[[8-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2nc(OCC3CCOC3)c3cccc(Cl)c3n2)c2cnccc2n1C1CC1
InChIInChI=1S/C23H22ClN5O3/c24-17-3-1-2-16-21(17)26-20(27-22(16)32-13-14-7-9-31-12-14)11-28-19-10-25-8-6-18(19)29(23(28)30)15-4-5-15/h1-3,6,8,10,14-15H,4-5,7,9,11-13H2
InChIKeyOXXVXAZVFSFNLH-UHFFFAOYSA-N
MW451.91 g/mol
LogP3.59
Rot. Bonds6

About 3-[[8-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one

3-[[8-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one (PubChem CID 118058564) has the molecular formula C23H22ClN5O3 and a molecular weight of 451.91 g/mol. Its IUPAC name is 3-[[8-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name3-[[8-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
PubChem CID118058564
Molecular FormulaC23H22ClN5O3
Molecular Weight451.91 g/mol
Exact Mass451.14
IUPAC Name3-[[8-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2nc(OCC3CCOC3)c3cccc(Cl)c3n2)c2cnccc2n1C1CC1
InChIInChI=1S/C23H22ClN5O3/c24-17-3-1-2-16-21(17)26-20(27-22(16)32-13-14-7-9-31-12-14)11-28-19-10-25-8-6-18(19)29(23(28)30)15-4-5-15/h1-3,6,8,10,14-15H,4-5,7,9,11-13H2
InChIKeyOXXVXAZVFSFNLH-UHFFFAOYSA-N
XLogP3.59
TPSA84.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.91
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-Chloro-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-4-(oxan-4-yloxy)quinazoline
CID 165414881
3-[[7-Bromo-4-(3-fluoropropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 118058625
3-[[6-Bromo-4-(3-fluoropropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 130230404
1-Cyclopropyl-3-[[6-fluoro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 130230419
N-[4-[cyclopropyl(methyl)amino]-3-pyridinyl]-N-[[6-fluoro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]formamide
CID 144839481
N-(2-chloro-6-methylphenyl)-12-(2-morpholin-4-ylethoxy)-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine
CID 9824455
N-(2-chloro-6-methylphenyl)-12-(2-methoxyethoxy)-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine
CID 9929941
propan-2-yl (1S,5S)-3-[7-(2-chloro-4-cyanophenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 44819615
8-Chloro-4-methoxy-2-pyridin-4-ylquinazoline
CID 57785079
8-Chloro-2-imidazol-1-yl-4-methoxyquinazoline
CID 57785379
3-[[4-Chloro-1-(4-phenylmethoxybutyl)imidazo[4,5-c]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 88544946
3-[[4-Chloro-1-(1-phenylmethoxybutyl)imidazo[4,5-c]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 89823651

Frequently Asked Questions

What is the IUPAC name of 3-[[8-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The IUPAC name of 3-[[8-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one (CID 118058564) is 3-[[8-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 3-[[8-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 3-[[8-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one is O=c1n(Cc2nc(OCC3CCOC3)c3cccc(Cl)c3n2)c2cnccc2n1C1CC1.
What is the InChIKey of 3-[[8-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The InChIKey is OXXVXAZVFSFNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O3/c24-17-3-1-2-16-21(17)26-20(27-22(16)32-13-14-7-9-31-12-14)11-28-19-10-25-8-6-18(19)29(23(28)30)15-4-5-15/h1-3,6,8,10,14-15H,4-5,7,9,11-13H2.
What are the key properties of 3-[[8-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
3-[[8-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one has a molecular weight of 451.91 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[8-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 118058564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).