6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]quinazoline

C17H22N4O — CID 126894285

IUPAC6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]quinazoline
SMILESc1ncc2cc(N3CCN(CC4CCOC4)CC3)ccc2n1
InChIInChI=1S/C17H22N4O/c1-2-17-15(10-18-13-19-17)9-16(1)21-6-4-20(5-7-21)11-14-3-8-22-12-14/h1-2,9-10,13-14H,3-8,11-12H2
InChIKeyIFPKQNVDXHKULZ-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.79
Rot. Bonds3

About 6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]quinazoline

6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]quinazoline (PubChem CID 126894285) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]quinazoline
PubChem CID126894285
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]quinazoline
SMILESc1ncc2cc(N3CCN(CC4CCOC4)CC3)ccc2n1
InChIInChI=1S/C17H22N4O/c1-2-17-15(10-18-13-19-17)9-16(1)21-6-4-20(5-7-21)11-14-3-8-22-12-14/h1-2,9-10,13-14H,3-8,11-12H2
InChIKeyIFPKQNVDXHKULZ-UHFFFAOYSA-N
XLogP1.79
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one
CID 126894474
1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine
CID 99932126
5-(oxan-4-yl)-3-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 126894391
5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyridin-2-amine
CID 61312836
6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one
CID 126894338
2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 126894405
4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]aniline
CID 61312636
4-methyl-6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]morpholin-3-one
CID 126894463
6-[4-(1,4-dioxepan-6-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline
CID 126894882
2-chloro-4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]benzonitrile
CID 133335940
oxolan-2-yl-(4-quinazolin-6-ylpiperazin-1-yl)methanone
CID 126894159
6-[4-[(2-cyclobutylpyrimidin-4-yl)methyl]piperazin-1-yl]quinazoline
CID 126894373

Frequently Asked Questions

What is the IUPAC name of 6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]quinazoline?
The IUPAC name of 6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]quinazoline (CID 126894285) is 6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]quinazoline.
What is the SMILES notation for 6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]quinazoline?
The canonical SMILES for 6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]quinazoline is c1ncc2cc(N3CCN(CC4CCOC4)CC3)ccc2n1.
What is the InChIKey of 6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]quinazoline?
The InChIKey is IFPKQNVDXHKULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-2-17-15(10-18-13-19-17)9-16(1)21-6-4-20(5-7-21)11-14-3-8-22-12-14/h1-2,9-10,13-14H,3-8,11-12H2.
What are the key properties of 6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]quinazoline?
6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]quinazoline has a molecular weight of 298.39 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]quinazoline is sourced from PubChem (CID 126894285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).