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

C47H47ClN10O6 — CID 157401966

IUPAC3-[[8-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[8-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESCc1cccc2c(OCC3CCOC3)nc(Cn3c(=O)n(C4CC4)c4ccncc43)nc12.O=c1n(Cc2nc(OCC3CCOC3)c3cccc(Cl)c3n2)c2cnccc2n1C1CC1
InChIInChI=1S/C24H25N5O3.C23H22ClN5O3/c1-15-3-2-4-18-22(15)26-21(27-23(18)32-14-16-8-10-31-13-16)12-28-20-11-25-9-7-19(20)29(24(28)30)17-5-6-17;24-17-3-1-2-16-21(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/h2-4,7,9,11,16-17H,5-6,8,10,12-14H2,1H3;1-3,6,8,10,14-15H,4-5,7,9,11-13H2
InChIKeyBNGVWGODGVZDIF-UHFFFAOYSA-N
MW883.41 g/mol
LogP6.84
Rot. Bonds12

About 3-[[8-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[8-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[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;1-cyclopropyl-3-[[8-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (PubChem CID 157401966) has the molecular formula C47H47ClN10O6 and a molecular weight of 883.41 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;1-cyclopropyl-3-[[8-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[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;1-cyclopropyl-3-[[8-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
PubChem CID157401966
Molecular FormulaC47H47ClN10O6
Molecular Weight883.41 g/mol
Exact Mass882.34
IUPAC Name3-[[8-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[8-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESCc1cccc2c(OCC3CCOC3)nc(Cn3c(=O)n(C4CC4)c4ccncc43)nc12.O=c1n(Cc2nc(OCC3CCOC3)c3cccc(Cl)c3n2)c2cnccc2n1C1CC1
InChIInChI=1S/C24H25N5O3.C23H22ClN5O3/c1-15-3-2-4-18-22(15)26-21(27-23(18)32-14-16-8-10-31-13-16)12-28-20-11-25-9-7-19(20)29(24(28)30)17-5-6-17;24-17-3-1-2-16-21(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/h2-4,7,9,11,16-17H,5-6,8,10,12-14H2,1H3;1-3,6,8,10,14-15H,4-5,7,9,11-13H2
InChIKeyBNGVWGODGVZDIF-UHFFFAOYSA-N
XLogP6.84
TPSA168.12 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500883.41
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 3-[[8-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[8-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one with MolForge

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Related Compounds

1-[[7-Chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-3-cyclopropylimidazo[4,5-b]pyridin-2-one
CID 118058532
3-[[7-Chloro-4-[2-(oxolan-3-yl)ethoxy]quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 118058553
3-[[7-Chloro-4-(2-methylheptoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 118058556
3-[[5-Chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 118058560
3-[[8-Chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 118058564
3-[[7-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-[(3R)-oxolan-3-yl]imidazo[4,5-c]pyridin-2-one
CID 118058576
1-Cyclopropyl-3-[[6-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 118058600
1-Cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyridin-3-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 118058601
1-Cyclopropyl-3-[[8-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 118058610
1-Cyclopropyl-3-[[6-(1-methylimidazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 118058648
1-Cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyrazin-2-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 118058725
3-[[8-Chloro-4-(2-methylpropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 123204584

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;1-cyclopropyl-3-[[8-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[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;1-cyclopropyl-3-[[8-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (CID 157401966) is 3-[[8-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[8-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[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;1-cyclopropyl-3-[[8-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[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;1-cyclopropyl-3-[[8-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is Cc1cccc2c(OCC3CCOC3)nc(Cn3c(=O)n(C4CC4)c4ccncc43)nc12.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;1-cyclopropyl-3-[[8-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The InChIKey is BNGVWGODGVZDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3.C23H22ClN5O3/c1-15-3-2-4-18-22(15)26-21(27-23(18)32-14-16-8-10-31-13-16)12-28-20-11-25-9-7-19(20)29(24(28)30)17-5-6-17;24-17-3-1-2-16-21(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/h2-4,7,9,11,16-17H,5-6,8,10,12-14H2,1H3;1-3,6,8,10,14-15H,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;1-cyclopropyl-3-[[8-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[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;1-cyclopropyl-3-[[8-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 883.41 g/mol, XLogP of 6.84, 12 rotatable bonds, 0 hydrogen bond donors, and 16 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;1-cyclopropyl-3-[[8-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 157401966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).