4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]quinazoline

C18H19N5 — CID 171327392

IUPAC4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]quinazoline
SMILESc1ccc(CN2CCN(c3ncnc4ccccc34)CC2)nc1
InChIInChI=1S/C18H19N5/c1-2-7-17-16(6-1)18(21-14-20-17)23-11-9-22(10-12-23)13-15-5-3-4-8-19-15/h1-8,14H,9-13H2
InChIKeyKDZDFDXUXJSXHM-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.35
Rot. Bonds3

About 4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]quinazoline

4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]quinazoline (PubChem CID 171327392) has the molecular formula C18H19N5 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]quinazoline
PubChem CID171327392
Molecular FormulaC18H19N5
Molecular Weight305.38 g/mol
Exact Mass305.16
IUPAC Name4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]quinazoline
SMILESc1ccc(CN2CCN(c3ncnc4ccccc34)CC2)nc1
InChIInChI=1S/C18H19N5/c1-2-7-17-16(6-1)18(21-14-20-17)23-11-9-22(10-12-23)13-15-5-3-4-8-19-15/h1-8,14H,9-13H2
InChIKeyKDZDFDXUXJSXHM-UHFFFAOYSA-N
XLogP2.35
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]phenol
CID 71508231
4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinazoline
CID 9463976
4-[4-[(2-phenylpyrazol-3-yl)methyl]piperazin-1-yl]quinazoline
CID 56912301
1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
4-(azepan-1-yl)quinazoline
CID 5207391
4,5-dimethyl-2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 86891071
4-(4-imidazo[1,2-a]pyrazin-8-ylpiperazin-1-yl)quinazoline
CID 166605534
2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]aniline
CID 19626880
4-(4-benzhydrylpiperazin-1-yl)quinazoline
CID 1413844
4-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]quinazoline
CID 123289394
4-(4-benzylpiperazin-1-yl)-6-iodoquinazoline
CID 1191450
4-[4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]quinazoline
CID 56887626

Frequently Asked Questions

What is the IUPAC name of 4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]quinazoline?
The IUPAC name of 4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]quinazoline (CID 171327392) is 4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]quinazoline.
What is the SMILES notation for 4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]quinazoline?
The canonical SMILES for 4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]quinazoline is c1ccc(CN2CCN(c3ncnc4ccccc34)CC2)nc1.
What is the InChIKey of 4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]quinazoline?
The InChIKey is KDZDFDXUXJSXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-2-7-17-16(6-1)18(21-14-20-17)23-11-9-22(10-12-23)13-15-5-3-4-8-19-15/h1-8,14H,9-13H2.
What are the key properties of 4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]quinazoline?
4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]quinazoline has a molecular weight of 305.38 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]quinazoline is sourced from PubChem (CID 171327392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).