acetic acid;cis-(1S,2R)-2-(2-piperazin-1-ylquinazolin-4-yl)oxycyclopentan-1-ol

C19H26N4O4 — CID 67754208

IUPACacetic acid;cis-(1S,2R)-2-(2-piperazin-1-ylquinazolin-4-yl)oxycyclopentan-1-ol
SMILESCC(=O)O.O[C@H]1CCC[C@H]1Oc1nc(N2CCNCC2)nc2ccccc12
InChIInChI=1S/C17H22N4O2.C2H4O2/c22-14-6-3-7-15(14)23-16-12-4-1-2-5-13(12)19-17(20-16)21-10-8-18-9-11-21;1-2(3)4/h1-2,4-5,14-15,18,22H,3,6-11H2;1H3,(H,3,4)/t14-,15+;/m0./s1
InChIKeyLLFYIYAYLGOALJ-LDXVYITESA-N
MW374.44 g/mol
LogP1.42
Rot. Bonds3

About acetic acid;cis-(1S,2R)-2-(2-piperazin-1-ylquinazolin-4-yl)oxycyclopentan-1-ol

acetic acid;cis-(1S,2R)-2-(2-piperazin-1-ylquinazolin-4-yl)oxycyclopentan-1-ol (PubChem CID 67754208) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is acetic acid;cis-(1S,2R)-2-(2-piperazin-1-ylquinazolin-4-yl)oxycyclopentan-1-ol.

Molecular Properties

Compound Nameacetic acid;cis-(1S,2R)-2-(2-piperazin-1-ylquinazolin-4-yl)oxycyclopentan-1-ol
PubChem CID67754208
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Nameacetic acid;cis-(1S,2R)-2-(2-piperazin-1-ylquinazolin-4-yl)oxycyclopentan-1-ol
SMILESCC(=O)O.O[C@H]1CCC[C@H]1Oc1nc(N2CCNCC2)nc2ccccc12
InChIInChI=1S/C17H22N4O2.C2H4O2/c22-14-6-3-7-15(14)23-16-12-4-1-2-5-13(12)19-17(20-16)21-10-8-18-9-11-21;1-2(3)4/h1-2,4-5,14-15,18,22H,3,6-11H2;1H3,(H,3,4)/t14-,15+;/m0./s1
InChIKeyLLFYIYAYLGOALJ-LDXVYITESA-N
XLogP1.42
TPSA107.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of acetic acid;cis-(1S,2R)-2-(2-piperazin-1-ylquinazolin-4-yl)oxycyclopentan-1-ol?
The IUPAC name of acetic acid;cis-(1S,2R)-2-(2-piperazin-1-ylquinazolin-4-yl)oxycyclopentan-1-ol (CID 67754208) is acetic acid;cis-(1S,2R)-2-(2-piperazin-1-ylquinazolin-4-yl)oxycyclopentan-1-ol.
What is the SMILES notation for acetic acid;cis-(1S,2R)-2-(2-piperazin-1-ylquinazolin-4-yl)oxycyclopentan-1-ol?
The canonical SMILES for acetic acid;cis-(1S,2R)-2-(2-piperazin-1-ylquinazolin-4-yl)oxycyclopentan-1-ol is CC(=O)O.O[C@H]1CCC[C@H]1Oc1nc(N2CCNCC2)nc2ccccc12.
What is the InChIKey of acetic acid;cis-(1S,2R)-2-(2-piperazin-1-ylquinazolin-4-yl)oxycyclopentan-1-ol?
The InChIKey is LLFYIYAYLGOALJ-LDXVYITESA-N. The full InChI is InChI=1S/C17H22N4O2.C2H4O2/c22-14-6-3-7-15(14)23-16-12-4-1-2-5-13(12)19-17(20-16)21-10-8-18-9-11-21;1-2(3)4/h1-2,4-5,14-15,18,22H,3,6-11H2;1H3,(H,3,4)/t14-,15+;/m0./s1.
What are the key properties of acetic acid;cis-(1S,2R)-2-(2-piperazin-1-ylquinazolin-4-yl)oxycyclopentan-1-ol?
acetic acid;cis-(1S,2R)-2-(2-piperazin-1-ylquinazolin-4-yl)oxycyclopentan-1-ol has a molecular weight of 374.44 g/mol, XLogP of 1.42, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;cis-(1S,2R)-2-(2-piperazin-1-ylquinazolin-4-yl)oxycyclopentan-1-ol is sourced from PubChem (CID 67754208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).