1-piperazin-1-yl-1-quinazolin-2-ylethanol

C14H18N4O — CID 118353457

IUPAC1-piperazin-1-yl-1-quinazolin-2-ylethanol
SMILESCC(O)(c1ncc2ccccc2n1)N1CCNCC1
InChIInChI=1S/C14H18N4O/c1-14(19,18-8-6-15-7-9-18)13-16-10-11-4-2-3-5-12(11)17-13/h2-5,10,15,19H,6-9H2,1H3
InChIKeyGZMNYWQYNIMPLW-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.70
Rot. Bonds2

About 1-piperazin-1-yl-1-quinazolin-2-ylethanol

1-piperazin-1-yl-1-quinazolin-2-ylethanol (PubChem CID 118353457) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-piperazin-1-yl-1-quinazolin-2-ylethanol.

Molecular Properties

Compound Name1-piperazin-1-yl-1-quinazolin-2-ylethanol
PubChem CID118353457
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-piperazin-1-yl-1-quinazolin-2-ylethanol
SMILESCC(O)(c1ncc2ccccc2n1)N1CCNCC1
InChIInChI=1S/C14H18N4O/c1-14(19,18-8-6-15-7-9-18)13-16-10-11-4-2-3-5-12(11)17-13/h2-5,10,15,19H,6-9H2,1H3
InChIKeyGZMNYWQYNIMPLW-UHFFFAOYSA-N
XLogP0.70
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Enasidenib
CID 89683805
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
4-Phenyl-2-(piperazin-1-yl)quinazoline
CID 3763388
Sri-9439
CID 446752
6-Amino-4-[(3-methylphenyl)amino]pyrido[3,4-d]pyrimidine
CID 5328375
6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328376
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
N-benzyl-2-pyridin-4-ylquinazolin-4-amine
CID 921562
N-Cyclohexylquinazolin-4-amine
CID 13231190
N-(4-methylphenyl)-4-quinolin-4-ylpyrimidin-2-amine
CID 44820374
4-(4-Acetyl-1-piperazinyl)quinazoline
CID 594152
6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328377

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-1-quinazolin-2-ylethanol?
The IUPAC name of 1-piperazin-1-yl-1-quinazolin-2-ylethanol (CID 118353457) is 1-piperazin-1-yl-1-quinazolin-2-ylethanol.
What is the SMILES notation for 1-piperazin-1-yl-1-quinazolin-2-ylethanol?
The canonical SMILES for 1-piperazin-1-yl-1-quinazolin-2-ylethanol is CC(O)(c1ncc2ccccc2n1)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-1-quinazolin-2-ylethanol?
The InChIKey is GZMNYWQYNIMPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-14(19,18-8-6-15-7-9-18)13-16-10-11-4-2-3-5-12(11)17-13/h2-5,10,15,19H,6-9H2,1H3.
What are the key properties of 1-piperazin-1-yl-1-quinazolin-2-ylethanol?
1-piperazin-1-yl-1-quinazolin-2-ylethanol has a molecular weight of 258.32 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-1-quinazolin-2-ylethanol is sourced from PubChem (CID 118353457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).