6,7-dimethoxy-4-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]quinazoline

C22H24N8O2 — CID 163354995

IUPAC6,7-dimethoxy-4-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]quinazoline
SMILESCOc1cc2ncnc(N3CCN(c4cncc(-c5cnn(C)c5)n4)CC3)c2cc1OC
InChIInChI=1S/C22H24N8O2/c1-28-13-15(10-26-28)18-11-23-12-21(27-18)29-4-6-30(7-5-29)22-16-8-19(31-2)20(32-3)9-17(16)24-14-25-22/h8-14H,4-7H2,1-3H3
InChIKeyXJETVFXLMHSVMB-UHFFFAOYSA-N
MW432.49 g/mol
LogP2.16
Rot. Bonds5

About 6,7-dimethoxy-4-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]quinazoline

6,7-dimethoxy-4-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]quinazoline (PubChem CID 163354995) has the molecular formula C22H24N8O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is 6,7-dimethoxy-4-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name6,7-dimethoxy-4-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]quinazoline
PubChem CID163354995
Molecular FormulaC22H24N8O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC Name6,7-dimethoxy-4-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]quinazoline
SMILESCOc1cc2ncnc(N3CCN(c4cncc(-c5cnn(C)c5)n4)CC3)c2cc1OC
InChIInChI=1S/C22H24N8O2/c1-28-13-15(10-26-28)18-11-23-12-21(27-18)29-4-6-30(7-5-29)22-16-8-19(31-2)20(32-3)9-17(16)24-14-25-22/h8-14H,4-7H2,1-3H3
InChIKeyXJETVFXLMHSVMB-UHFFFAOYSA-N
XLogP2.16
TPSA94.32 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

4,5-dimethyl-6-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]pyrimidine
CID 163351387
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
2-(1-methylpyrazol-4-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine
CID 163352906
2-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine
CID 163352310
1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
CID 14738823
2,4-dimethyl-6-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]pyrimidine
CID 163354789
[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methylidenevanadium
CID 22954242
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine
CID 163352896
4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 86756553
cyclopropyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
CID 171691630
4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707631
4-[3-(2-chloro-6-methylpyrimidin-4-yl)imidazolidin-1-yl]-6,7-dimethoxyquinazoline
CID 170974359

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]quinazoline?
The IUPAC name of 6,7-dimethoxy-4-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]quinazoline (CID 163354995) is 6,7-dimethoxy-4-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]quinazoline.
What is the SMILES notation for 6,7-dimethoxy-4-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]quinazoline?
The canonical SMILES for 6,7-dimethoxy-4-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]quinazoline is COc1cc2ncnc(N3CCN(c4cncc(-c5cnn(C)c5)n4)CC3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]quinazoline?
The InChIKey is XJETVFXLMHSVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O2/c1-28-13-15(10-26-28)18-11-23-12-21(27-18)29-4-6-30(7-5-29)22-16-8-19(31-2)20(32-3)9-17(16)24-14-25-22/h8-14H,4-7H2,1-3H3.
What are the key properties of 6,7-dimethoxy-4-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]quinazoline?
6,7-dimethoxy-4-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]quinazoline has a molecular weight of 432.49 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]quinazoline is sourced from PubChem (CID 163354995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).