[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone

C20H22N6O3 — CID 126896615

IUPAC[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCN(c2ccc3ncnc(OC4CCOC4)c3c2)CC1
InChIInChI=1S/C20H22N6O3/c27-20(14-10-23-24-11-14)26-6-4-25(5-7-26)15-1-2-18-17(9-15)19(22-13-21-18)29-16-3-8-28-12-16/h1-2,9-11,13,16H,3-8,12H2,(H,23,24)
InChIKeyYGZSEIUUIYGCDG-UHFFFAOYSA-N
MW394.44 g/mol
LogP1.48
Rot. Bonds4

About [4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone

[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone (PubChem CID 126896615) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is [4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
PubChem CID126896615
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC Name[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCN(c2ccc3ncnc(OC4CCOC4)c3c2)CC1
InChIInChI=1S/C20H22N6O3/c27-20(14-10-23-24-11-14)26-6-4-25(5-7-26)15-1-2-18-17(9-15)19(22-13-21-18)29-16-3-8-28-12-16/h1-2,9-11,13,16H,3-8,12H2,(H,23,24)
InChIKeyYGZSEIUUIYGCDG-UHFFFAOYSA-N
XLogP1.48
TPSA96.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,2-oxazol-5-yl-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methanone
CID 126896594
[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 126895487
4-(oxolan-3-yloxy)-6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]quinazoline
CID 126896695
6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-(oxolan-3-yloxy)quinazoline
CID 126896635
4-[2-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]ethyl]-1,4-oxazepan-3-one
CID 126896735
4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2-thiazole
CID 126896722
3-methyl-4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2,5-oxadiazole
CID 126896702
[4-(4-hydroxyphenyl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 60787653
[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 126896267
3-(methoxymethyl)-5-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]-1,2,4-thiadiazole
CID 126896749
[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 126894625
5-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 126894994

Frequently Asked Questions

What is the IUPAC name of [4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone?
The IUPAC name of [4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone (CID 126896615) is [4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for [4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1)N1CCN(c2ccc3ncnc(OC4CCOC4)c3c2)CC1.
What is the InChIKey of [4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone?
The InChIKey is YGZSEIUUIYGCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/c27-20(14-10-23-24-11-14)26-6-4-25(5-7-26)15-1-2-18-17(9-15)19(22-13-21-18)29-16-3-8-28-12-16/h1-2,9-11,13,16H,3-8,12H2,(H,23,24).
What are the key properties of [4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone?
[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone has a molecular weight of 394.44 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 126896615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).