3-[4-(3-methyl-4-oxoquinazolin-7-yl)piperazin-1-yl]pyrazine-2-carbonitrile

C18H17N7O — CID 126896874

IUPAC3-[4-(3-methyl-4-oxoquinazolin-7-yl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESCn1cnc2cc(N3CCN(c4nccnc4C#N)CC3)ccc2c1=O
InChIInChI=1S/C18H17N7O/c1-23-12-22-15-10-13(2-3-14(15)18(23)26)24-6-8-25(9-7-24)17-16(11-19)20-4-5-21-17/h2-5,10,12H,6-9H2,1H3
InChIKeyLADNDYONZFKRJY-UHFFFAOYSA-N
MW347.38 g/mol
LogP0.92
Rot. Bonds2

About 3-[4-(3-methyl-4-oxoquinazolin-7-yl)piperazin-1-yl]pyrazine-2-carbonitrile

3-[4-(3-methyl-4-oxoquinazolin-7-yl)piperazin-1-yl]pyrazine-2-carbonitrile (PubChem CID 126896874) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is 3-[4-(3-methyl-4-oxoquinazolin-7-yl)piperazin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-(3-methyl-4-oxoquinazolin-7-yl)piperazin-1-yl]pyrazine-2-carbonitrile
PubChem CID126896874
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name3-[4-(3-methyl-4-oxoquinazolin-7-yl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESCn1cnc2cc(N3CCN(c4nccnc4C#N)CC3)ccc2c1=O
InChIInChI=1S/C18H17N7O/c1-23-12-22-15-10-13(2-3-14(15)18(23)26)24-6-8-25(9-7-24)17-16(11-19)20-4-5-21-17/h2-5,10,12H,6-9H2,1H3
InChIKeyLADNDYONZFKRJY-UHFFFAOYSA-N
XLogP0.92
TPSA90.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[4-[3-(2,2-difluoroethyl)-4-oxoquinazolin-7-yl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 126897983
2-[4-(3-methyl-4-oxoquinazolin-7-yl)piperazin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 126897129
3-methyl-2-[4-(3-methyl-4-oxoquinazolin-7-yl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-4-one
CID 126897211
3-methyl-7-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-one
CID 126897138
3-methyl-7-[4-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
CID 126897212
7-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896886
7-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896880
3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 171335787
3-methyl-7-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126896972
3-methyl-7-[4-(1-methyl-2-oxopiperidin-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126897105
3-methyl-7-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]quinazolin-4-one
CID 126896954
3-methyl-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126897077

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methyl-4-oxoquinazolin-7-yl)piperazin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[4-(3-methyl-4-oxoquinazolin-7-yl)piperazin-1-yl]pyrazine-2-carbonitrile (CID 126896874) is 3-[4-(3-methyl-4-oxoquinazolin-7-yl)piperazin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[4-(3-methyl-4-oxoquinazolin-7-yl)piperazin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[4-(3-methyl-4-oxoquinazolin-7-yl)piperazin-1-yl]pyrazine-2-carbonitrile is Cn1cnc2cc(N3CCN(c4nccnc4C#N)CC3)ccc2c1=O.
What is the InChIKey of 3-[4-(3-methyl-4-oxoquinazolin-7-yl)piperazin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is LADNDYONZFKRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c1-23-12-22-15-10-13(2-3-14(15)18(23)26)24-6-8-25(9-7-24)17-16(11-19)20-4-5-21-17/h2-5,10,12H,6-9H2,1H3.
What are the key properties of 3-[4-(3-methyl-4-oxoquinazolin-7-yl)piperazin-1-yl]pyrazine-2-carbonitrile?
3-[4-(3-methyl-4-oxoquinazolin-7-yl)piperazin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 347.38 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methyl-4-oxoquinazolin-7-yl)piperazin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 126896874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).