4-[[4-(2-ethylbutoxy)-6-(1-methylpyrazol-4-yl)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one

C30H31N7O2 — CID 144839565

IUPAC4-[[4-(2-ethylbutoxy)-6-(1-methylpyrazol-4-yl)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one
SMILESCCC(CC)COc1nc(Cn2c(=O)c3ccccc3n3nc(C)cc23)nc2ccc(-c3cnn(C)c3)cc12
InChIInChI=1S/C30H31N7O2/c1-5-20(6-2)18-39-29-24-14-21(22-15-31-35(4)16-22)11-12-25(24)32-27(33-29)17-36-28-13-19(3)34-37(28)26-10-8-7-9-23(26)30(36)38/h7-16,20H,5-6,17-18H2,1-4H3
InChIKeyVIZPCZLKTFRNGG-UHFFFAOYSA-N
MW521.63 g/mol
LogP5.16
Rot. Bonds8

About 4-[[4-(2-ethylbutoxy)-6-(1-methylpyrazol-4-yl)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one

4-[[4-(2-ethylbutoxy)-6-(1-methylpyrazol-4-yl)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one (PubChem CID 144839565) has the molecular formula C30H31N7O2 and a molecular weight of 521.63 g/mol. Its IUPAC name is 4-[[4-(2-ethylbutoxy)-6-(1-methylpyrazol-4-yl)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name4-[[4-(2-ethylbutoxy)-6-(1-methylpyrazol-4-yl)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one
PubChem CID144839565
Molecular FormulaC30H31N7O2
Molecular Weight521.63 g/mol
Exact Mass521.25
IUPAC Name4-[[4-(2-ethylbutoxy)-6-(1-methylpyrazol-4-yl)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one
SMILESCCC(CC)COc1nc(Cn2c(=O)c3ccccc3n3nc(C)cc23)nc2ccc(-c3cnn(C)c3)cc12
InChIInChI=1S/C30H31N7O2/c1-5-20(6-2)18-39-29-24-14-21(22-15-31-35(4)16-22)11-12-25(24)32-27(33-29)17-36-28-13-19(3)34-37(28)26-10-8-7-9-23(26)30(36)38/h7-16,20H,5-6,17-18H2,1-4H3
InChIKeyVIZPCZLKTFRNGG-UHFFFAOYSA-N
XLogP5.16
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.63
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

[(7R)-7-methyl-4-(5-methylfuro[2,3-d]pyrimidin-2-yl)-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 24965290
N-methyl-4-(quinolin-2-ylmethoxy)-N-([1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide
CID 56596177
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
2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 129165687
2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-N-methylacetamide
CID 129165774
2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]acetamide
CID 129165999
8-[6-[3-(Dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
CID 138490470
N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-phenylmethoxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide
CID 161428819
N-[(1R)-1-(3-methoxyphenyl)ethyl]-1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]indole-3-carboxamide
CID 169551960
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]indole-3-carboxamide
CID 169551961
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]indole-3-carboxamide
CID 169551965

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-ethylbutoxy)-6-(1-methylpyrazol-4-yl)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 4-[[4-(2-ethylbutoxy)-6-(1-methylpyrazol-4-yl)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one (CID 144839565) is 4-[[4-(2-ethylbutoxy)-6-(1-methylpyrazol-4-yl)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 4-[[4-(2-ethylbutoxy)-6-(1-methylpyrazol-4-yl)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 4-[[4-(2-ethylbutoxy)-6-(1-methylpyrazol-4-yl)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one is CCC(CC)COc1nc(Cn2c(=O)c3ccccc3n3nc(C)cc23)nc2ccc(-c3cnn(C)c3)cc12.
What is the InChIKey of 4-[[4-(2-ethylbutoxy)-6-(1-methylpyrazol-4-yl)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is VIZPCZLKTFRNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N7O2/c1-5-20(6-2)18-39-29-24-14-21(22-15-31-35(4)16-22)11-12-25(24)32-27(33-29)17-36-28-13-19(3)34-37(28)26-10-8-7-9-23(26)30(36)38/h7-16,20H,5-6,17-18H2,1-4H3.
What are the key properties of 4-[[4-(2-ethylbutoxy)-6-(1-methylpyrazol-4-yl)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one?
4-[[4-(2-ethylbutoxy)-6-(1-methylpyrazol-4-yl)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 521.63 g/mol, XLogP of 5.16, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-ethylbutoxy)-6-(1-methylpyrazol-4-yl)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 144839565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).