4-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one;2-methyl-4-[[6-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one

C51H47BrN10O6 — CID 162102231

IUPAC4-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one;2-methyl-4-[[6-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one
SMILESCc1cc2n(Cc3nc(OCC4CCOC4)c4cc(Br)ccc4n3)c(=O)c3ccccc3n2n1.Cc1ccc2nc(Cn3c(=O)c4ccccc4n4nc(C)cc34)nc(OCC3CCOC3)c2c1
InChIInChI=1S/C26H25N5O3.C25H22BrN5O3/c1-16-7-8-21-20(11-16)25(34-15-18-9-10-33-14-18)28-23(27-21)13-30-24-12-17(2)29-31(24)22-6-4-3-5-19(22)26(30)32;1-15-10-23-30(25(32)18-4-2-3-5-21(18)31(23)29-15)12-22-27-20-7-6-17(26)11-19(20)24(28-22)34-14-16-8-9-33-13-16/h3-8,11-12,18H,9-10,13-15H2,1-2H3;2-7,10-11,16H,8-9,12-14H2,1H3
InChIKeyZFARXVMITGVJEV-UHFFFAOYSA-N
MW975.90 g/mol
LogP7.80
Rot. Bonds10

About 4-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one;2-methyl-4-[[6-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one

4-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one;2-methyl-4-[[6-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 162102231) has the molecular formula C51H47BrN10O6 and a molecular weight of 975.90 g/mol. Its IUPAC name is 4-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one;2-methyl-4-[[6-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name4-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one;2-methyl-4-[[6-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one
PubChem CID162102231
Molecular FormulaC51H47BrN10O6
Molecular Weight975.90 g/mol
Exact Mass974.29
IUPAC Name4-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one;2-methyl-4-[[6-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one
SMILESCc1cc2n(Cc3nc(OCC4CCOC4)c4cc(Br)ccc4n3)c(=O)c3ccccc3n2n1.Cc1ccc2nc(Cn3c(=O)c4ccccc4n4nc(C)cc34)nc(OCC3CCOC3)c2c1
InChIInChI=1S/C26H25N5O3.C25H22BrN5O3/c1-16-7-8-21-20(11-16)25(34-15-18-9-10-33-14-18)28-23(27-21)13-30-24-12-17(2)29-31(24)22-6-4-3-5-19(22)26(30)32;1-15-10-23-30(25(32)18-4-2-3-5-21(18)31(23)29-15)12-22-27-20-7-6-17(26)11-19(20)24(28-22)34-14-16-8-9-33-13-16/h3-8,11-12,18H,9-10,13-15H2,1-2H3;2-7,10-11,16H,8-9,12-14H2,1H3
InChIKeyZFARXVMITGVJEV-UHFFFAOYSA-N
XLogP7.80
TPSA167.08 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500975.90
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 4-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one;2-methyl-4-[[6-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one with MolForge

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Related Compounds

2-[(2-Methyl-5-oxopyrazolo[1,5-a]quinazolin-4-yl)methyl]-4-(oxolan-3-ylmethoxy)quinazoline-6-carbonitrile
CID 91755007
4-[[7-Bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one
CID 118058589
4-[[6-Bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one
CID 118058590
2-Methyl-4-[[4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one
CID 118058594
2-Methyl-4-[[6-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one
CID 118058595
2-Methyl-4-[[6-(1-methylimidazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one
CID 118058699
2-Methyl-4-[[4-(oxolan-3-ylmethoxy)-6-pyridin-3-ylquinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one
CID 118058719
4-[[6-Hepta-2,4-dien-4-yl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one
CID 123916690
2-Methyl-4-[[6-(1-methylpyrazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one
CID 130230385
4-[[6-Bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one;2-methyl-4-[[4-(oxolan-3-ylmethoxy)-6-pyridin-3-ylquinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one;pyridin-3-ylboronic acid
CID 157420476
4-[[6-Bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one;2-methyl-4-[[6-(1-methylimidazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one;tributyl-(1-methylimidazol-4-yl)stannane
CID 159351669
4-[[6-Bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one;2-methyl-4-[[6-(1-methylpyrazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 160532734

Frequently Asked Questions

What is the IUPAC name of 4-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one;2-methyl-4-[[6-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 4-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one;2-methyl-4-[[6-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one (CID 162102231) is 4-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one;2-methyl-4-[[6-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 4-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one;2-methyl-4-[[6-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 4-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one;2-methyl-4-[[6-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one is Cc1cc2n(Cc3nc(OCC4CCOC4)c4cc(Br)ccc4n3)c(=O)c3ccccc3n2n1.Cc1ccc2nc(Cn3c(=O)c4ccccc4n4nc(C)cc34)nc(OCC3CCOC3)c2c1.
What is the InChIKey of 4-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one;2-methyl-4-[[6-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is ZFARXVMITGVJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3.C25H22BrN5O3/c1-16-7-8-21-20(11-16)25(34-15-18-9-10-33-14-18)28-23(27-21)13-30-24-12-17(2)29-31(24)22-6-4-3-5-19(22)26(30)32;1-15-10-23-30(25(32)18-4-2-3-5-21(18)31(23)29-15)12-22-27-20-7-6-17(26)11-19(20)24(28-22)34-14-16-8-9-33-13-16/h3-8,11-12,18H,9-10,13-15H2,1-2H3;2-7,10-11,16H,8-9,12-14H2,1H3.
What are the key properties of 4-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one;2-methyl-4-[[6-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one?
4-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one;2-methyl-4-[[6-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 975.90 g/mol, XLogP of 7.80, 10 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one;2-methyl-4-[[6-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 162102231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).