trans-(1S,2S)-2-[(2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]cyclopentan-1-ol

C17H25N3O2 — CID 139814294

IUPACtrans-(1S,2S)-2-[(2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Oc1nc(N2CCCC2)nc2c1CCCC2
InChIInChI=1S/C17H25N3O2/c21-14-8-5-9-15(14)22-16-12-6-1-2-7-13(12)18-17(19-16)20-10-3-4-11-20/h14-15,21H,1-11H2/t14-,15-/m0/s1
InChIKeyCWNXWFMGUKMIQE-GJZGRUSLSA-N
MW303.41 g/mol
LogP2.25
Rot. Bonds3

About trans-(1S,2S)-2-[(2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]cyclopentan-1-ol

trans-(1S,2S)-2-[(2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]cyclopentan-1-ol (PubChem CID 139814294) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]cyclopentan-1-ol
PubChem CID139814294
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Nametrans-(1S,2S)-2-[(2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Oc1nc(N2CCCC2)nc2c1CCCC2
InChIInChI=1S/C17H25N3O2/c21-14-8-5-9-15(14)22-16-12-6-1-2-7-13(12)18-17(19-16)20-10-3-4-11-20/h14-15,21H,1-11H2/t14-,15-/m0/s1
InChIKeyCWNXWFMGUKMIQE-GJZGRUSLSA-N
XLogP2.25
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze trans-(1S,2S)-2-[(2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]cyclopentan-1-ol with MolForge

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Related Compounds

4-[(2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]cyclopentane-1,2,3-triol
CID 139764328
acetic acid;cis-(1S,2R)-2-(2-piperazin-1-ylquinazolin-4-yl)oxycyclopentan-1-ol
CID 67754208
4-phenyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline
CID 17035762
[2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]methanamine
CID 28908587
2-(azepan-1-yl)-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 17382095
2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazoline-4-carbonitrile
CID 39358324
[4-(4-fluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[(2R)-oxolan-2-yl]methanone
CID 92570243
N-ethyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191304
N-ethyl-2-piperidin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351687
4-(4-methylphenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline
CID 70578273
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-4-methoxy-5,6,7,8-tetrahydroquinazoline
CID 70577380
4-cyclobutyloxy-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 122478866

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]cyclopentan-1-ol (CID 139814294) is trans-(1S,2S)-2-[(2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]cyclopentan-1-ol is O[C@H]1CCC[C@@H]1Oc1nc(N2CCCC2)nc2c1CCCC2.
What is the InChIKey of trans-(1S,2S)-2-[(2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]cyclopentan-1-ol?
The InChIKey is CWNXWFMGUKMIQE-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H25N3O2/c21-14-8-5-9-15(14)22-16-12-6-1-2-7-13(12)18-17(19-16)20-10-3-4-11-20/h14-15,21H,1-11H2/t14-,15-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]cyclopentan-1-ol?
trans-(1S,2S)-2-[(2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]cyclopentan-1-ol has a molecular weight of 303.41 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]cyclopentan-1-ol is sourced from PubChem (CID 139814294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).