3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile

C20H21N7O — CID 126895037

IUPAC3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESCC(C)Oc1ncnc2ccc(N3CCN(c4nccnc4C#N)CC3)cc12
InChIInChI=1S/C20H21N7O/c1-14(2)28-20-16-11-15(3-4-17(16)24-13-25-20)26-7-9-27(10-8-26)19-18(12-21)22-5-6-23-19/h3-6,11,13-14H,7-10H2,1-2H3
InChIKeyRFIUDTBSWDXJAQ-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.41
Rot. Bonds4

About 3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile

3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile (PubChem CID 126895037) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile
PubChem CID126895037
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESCC(C)Oc1ncnc2ccc(N3CCN(c4nccnc4C#N)CC3)cc12
InChIInChI=1S/C20H21N7O/c1-14(2)28-20-16-11-15(3-4-17(16)24-13-25-20)26-7-9-27(10-8-26)19-18(12-21)22-5-6-23-19/h3-6,11,13-14H,7-10H2,1-2H3
InChIKeyRFIUDTBSWDXJAQ-UHFFFAOYSA-N
XLogP2.41
TPSA91.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile (CID 126895037) is 3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile is CC(C)Oc1ncnc2ccc(N3CCN(c4nccnc4C#N)CC3)cc12.
What is the InChIKey of 3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is RFIUDTBSWDXJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-14(2)28-20-16-11-15(3-4-17(16)24-13-25-20)26-7-9-27(10-8-26)19-18(12-21)22-5-6-23-19/h3-6,11,13-14H,7-10H2,1-2H3.
What are the key properties of 3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile?
3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 375.44 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 126895037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).