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

C47H47BrN10O6 — CID 157060603

IUPAC3-[[7-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[7-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESCc1ccc2c(OCC3CCOC3)nc(Cn3c(=O)n(C4CC4)c4ccncc43)nc2c1.O=c1n(Cc2nc(OCC3CCOC3)c3ccc(Br)cc3n2)c2cnccc2n1C1CC1
InChIInChI=1S/C24H25N5O3.C23H22BrN5O3/c1-15-2-5-18-19(10-15)26-22(27-23(18)32-14-16-7-9-31-13-16)12-28-21-11-25-8-6-20(21)29(24(28)30)17-3-4-17;24-15-1-4-17-18(9-15)26-21(27-22(17)32-13-14-6-8-31-12-14)11-28-20-10-25-7-5-19(20)29(23(28)30)16-2-3-16/h2,5-6,8,10-11,16-17H,3-4,7,9,12-14H2,1H3;1,4-5,7,9-10,14,16H,2-3,6,8,11-13H2
InChIKeyABHFCHVOYFYTEW-UHFFFAOYSA-N
MW927.86 g/mol
LogP6.95
Rot. Bonds12

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

3-[[7-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[7-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (PubChem CID 157060603) has the molecular formula C47H47BrN10O6 and a molecular weight of 927.86 g/mol. Its IUPAC name is 3-[[7-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[7-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name3-[[7-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[7-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
PubChem CID157060603
Molecular FormulaC47H47BrN10O6
Molecular Weight927.86 g/mol
Exact Mass926.29
IUPAC Name3-[[7-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[7-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESCc1ccc2c(OCC3CCOC3)nc(Cn3c(=O)n(C4CC4)c4ccncc43)nc2c1.O=c1n(Cc2nc(OCC3CCOC3)c3ccc(Br)cc3n2)c2cnccc2n1C1CC1
InChIInChI=1S/C24H25N5O3.C23H22BrN5O3/c1-15-2-5-18-19(10-15)26-22(27-23(18)32-14-16-7-9-31-13-16)12-28-21-11-25-8-6-20(21)29(24(28)30)17-3-4-17;24-15-1-4-17-18(9-15)26-21(27-22(17)32-13-14-6-8-31-12-14)11-28-20-10-25-7-5-19(20)29(23(28)30)16-2-3-16/h2,5-6,8,10-11,16-17H,3-4,7,9,12-14H2,1H3;1,4-5,7,9-10,14,16H,2-3,6,8,11-13H2
InChIKeyABHFCHVOYFYTEW-UHFFFAOYSA-N
XLogP6.95
TPSA168.12 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500927.86
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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

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Related Compounds

3-[[7-Bromo-4-(3-fluoropropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 118058625
3-[[6-Bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 118058548
3-[[7-Bromo-4-(oxolan-3-yloxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 118058549
3-[[7-Bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 118058550
3-[[7-Bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-(oxan-4-yl)imidazo[4,5-c]pyridin-2-one
CID 118058572
3-[[6-Bromo-4-(pyridin-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 118058613
3-[[7-Bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-(oxolan-3-yl)imidazo[4,5-c]pyridin-2-one
CID 118058664
1-Cyclopropyl-3-[[7-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 118058672
3-[[7-Bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-(1,1-dioxothiolan-3-yl)imidazo[4,5-c]pyridin-2-one
CID 130230420
3-[[7-Bromo-4-(cyclopentylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 130230431
3-[[7-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-[(3S)-oxolan-3-yl]imidazo[4,5-c]pyridin-2-one
CID 130230449
3-[[7-Bromo-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 130230462

Frequently Asked Questions

What is the IUPAC name of 3-[[7-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[7-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 3-[[7-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[7-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (CID 157060603) is 3-[[7-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[7-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 3-[[7-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[7-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 3-[[7-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[7-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is Cc1ccc2c(OCC3CCOC3)nc(Cn3c(=O)n(C4CC4)c4ccncc43)nc2c1.O=c1n(Cc2nc(OCC3CCOC3)c3ccc(Br)cc3n2)c2cnccc2n1C1CC1.
What is the InChIKey of 3-[[7-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[7-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The InChIKey is ABHFCHVOYFYTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3.C23H22BrN5O3/c1-15-2-5-18-19(10-15)26-22(27-23(18)32-14-16-7-9-31-13-16)12-28-21-11-25-8-6-20(21)29(24(28)30)17-3-4-17;24-15-1-4-17-18(9-15)26-21(27-22(17)32-13-14-6-8-31-12-14)11-28-20-10-25-7-5-19(20)29(23(28)30)16-2-3-16/h2,5-6,8,10-11,16-17H,3-4,7,9,12-14H2,1H3;1,4-5,7,9-10,14,16H,2-3,6,8,11-13H2.
What are the key properties of 3-[[7-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[7-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
3-[[7-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[7-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 927.86 g/mol, XLogP of 6.95, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[7-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 157060603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).