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

C30H26N6O3 — CID 118058719

IUPAC2-methyl-4-[[4-(oxolan-3-ylmethoxy)-6-pyridin-3-ylquinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one
SMILESCc1cc2n(Cc3nc(OCC4CCOC4)c4cc(-c5cccnc5)ccc4n3)c(=O)c3ccccc3n2n1
InChIInChI=1S/C30H26N6O3/c1-19-13-28-35(30(37)23-6-2-3-7-26(23)36(28)34-19)16-27-32-25-9-8-21(22-5-4-11-31-15-22)14-24(25)29(33-27)39-18-20-10-12-38-17-20/h2-9,11,13-15,20H,10,12,16-18H2,1H3
InChIKeyYZDKEWDXCWVIIP-UHFFFAOYSA-N
MW518.58 g/mol
LogP4.43
Rot. Bonds6

About 2-methyl-4-[[4-(oxolan-3-ylmethoxy)-6-pyridin-3-ylquinazolin-2-yl]methyl]pyrazolo[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 (PubChem CID 118058719) has the molecular formula C30H26N6O3 and a molecular weight of 518.58 g/mol. Its IUPAC name is 2-methyl-4-[[4-(oxolan-3-ylmethoxy)-6-pyridin-3-ylquinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name2-methyl-4-[[4-(oxolan-3-ylmethoxy)-6-pyridin-3-ylquinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one
PubChem CID118058719
Molecular FormulaC30H26N6O3
Molecular Weight518.58 g/mol
Exact Mass518.21
IUPAC Name2-methyl-4-[[4-(oxolan-3-ylmethoxy)-6-pyridin-3-ylquinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one
SMILESCc1cc2n(Cc3nc(OCC4CCOC4)c4cc(-c5cccnc5)ccc4n3)c(=O)c3ccccc3n2n1
InChIInChI=1S/C30H26N6O3/c1-19-13-28-35(30(37)23-6-2-3-7-26(23)36(28)34-19)16-27-32-25-9-8-21(22-5-4-11-31-15-22)14-24(25)29(33-27)39-18-20-10-12-38-17-20/h2-9,11,13-15,20H,10,12,16-18H2,1H3
InChIKeyYZDKEWDXCWVIIP-UHFFFAOYSA-N
XLogP4.43
TPSA96.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.58
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Launch Full Analysis

Related Compounds

N-methyl-4-(quinolin-2-ylmethoxy)-N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)benzamide
CID 56596178
2-[(2-Methyl-5-oxopyrazolo[1,5-a]quinazolin-4-yl)methyl]-4-(oxolan-3-ylmethoxy)quinazoline-6-carbonitrile
CID 91755007
Ethyl 6-methoxy-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]quinoline-3-carboxylate
CID 134149052
2-[[4-Amino-3-(6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3-(2,6-dimethylphenyl)-5-fluoroquinazolin-4-one
CID 145985019
2-[[4-Amino-3-(6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-fluoro-3-(2-methylphenyl)quinazolin-4-one
CID 145986167
4-(2-Methoxyethoxy)-2-(6-methylpyridin-3-yl)-6-(pyrazolo[1,5-a]pyridin-3-ylcarbonyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 49822073
Ethyl 6-methyl-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]quinoline-3-carboxylate
CID 133359663
4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide
CID 122431362
4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide
CID 122431406
4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide
CID 122431431
US11034671, Example 55
CID 155097639
US11566028, Example 18
CID 156273387

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[4-(oxolan-3-ylmethoxy)-6-pyridin-3-ylquinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 2-methyl-4-[[4-(oxolan-3-ylmethoxy)-6-pyridin-3-ylquinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one (CID 118058719) is 2-methyl-4-[[4-(oxolan-3-ylmethoxy)-6-pyridin-3-ylquinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 2-methyl-4-[[4-(oxolan-3-ylmethoxy)-6-pyridin-3-ylquinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 2-methyl-4-[[4-(oxolan-3-ylmethoxy)-6-pyridin-3-ylquinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one is Cc1cc2n(Cc3nc(OCC4CCOC4)c4cc(-c5cccnc5)ccc4n3)c(=O)c3ccccc3n2n1.
What is the InChIKey of 2-methyl-4-[[4-(oxolan-3-ylmethoxy)-6-pyridin-3-ylquinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is YZDKEWDXCWVIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N6O3/c1-19-13-28-35(30(37)23-6-2-3-7-26(23)36(28)34-19)16-27-32-25-9-8-21(22-5-4-11-31-15-22)14-24(25)29(33-27)39-18-20-10-12-38-17-20/h2-9,11,13-15,20H,10,12,16-18H2,1H3.
What are the key properties of 2-methyl-4-[[4-(oxolan-3-ylmethoxy)-6-pyridin-3-ylquinazolin-2-yl]methyl]pyrazolo[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 has a molecular weight of 518.58 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[4-(oxolan-3-ylmethoxy)-6-pyridin-3-ylquinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 118058719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).