1-[(1S,2R)-2-(2-hydroxyethyl)cyclopentyl]-3-(quinolin-6-ylmethyl)urea

C18H23N3O2 — CID 124627250

IUPAC1-[(1S,2R)-2-(2-hydroxyethyl)cyclopentyl]-3-(quinolin-6-ylmethyl)urea
SMILESO=C(NCc1ccc2ncccc2c1)N[C@H]1CCC[C@@H]1CCO
InChIInChI=1S/C18H23N3O2/c22-10-8-14-3-1-5-17(14)21-18(23)20-12-13-6-7-16-15(11-13)4-2-9-19-16/h2,4,6-7,9,11,14,17,22H,1,3,5,8,10,12H2,(H2,20,21,23)/t14-,17+/m1/s1
InChIKeyHLDQOKWHDNMAET-PBHICJAKSA-N
MW313.40 g/mol
LogP2.59
Rot. Bonds5

About 1-[(1S,2R)-2-(2-hydroxyethyl)cyclopentyl]-3-(quinolin-6-ylmethyl)urea

1-[(1S,2R)-2-(2-hydroxyethyl)cyclopentyl]-3-(quinolin-6-ylmethyl)urea (PubChem CID 124627250) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[(1S,2R)-2-(2-hydroxyethyl)cyclopentyl]-3-(quinolin-6-ylmethyl)urea.

Molecular Properties

Compound Name1-[(1S,2R)-2-(2-hydroxyethyl)cyclopentyl]-3-(quinolin-6-ylmethyl)urea
PubChem CID124627250
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-[(1S,2R)-2-(2-hydroxyethyl)cyclopentyl]-3-(quinolin-6-ylmethyl)urea
SMILESO=C(NCc1ccc2ncccc2c1)N[C@H]1CCC[C@@H]1CCO
InChIInChI=1S/C18H23N3O2/c22-10-8-14-3-1-5-17(14)21-18(23)20-12-13-6-7-16-15(11-13)4-2-9-19-16/h2,4,6-7,9,11,14,17,22H,1,3,5,8,10,12H2,(H2,20,21,23)/t14-,17+/m1/s1
InChIKeyHLDQOKWHDNMAET-PBHICJAKSA-N
XLogP2.59
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-(2-hydroxyethyl)cyclopentyl]-3-(quinolin-6-ylmethyl)urea?
The IUPAC name of 1-[(1S,2R)-2-(2-hydroxyethyl)cyclopentyl]-3-(quinolin-6-ylmethyl)urea (CID 124627250) is 1-[(1S,2R)-2-(2-hydroxyethyl)cyclopentyl]-3-(quinolin-6-ylmethyl)urea.
What is the SMILES notation for 1-[(1S,2R)-2-(2-hydroxyethyl)cyclopentyl]-3-(quinolin-6-ylmethyl)urea?
The canonical SMILES for 1-[(1S,2R)-2-(2-hydroxyethyl)cyclopentyl]-3-(quinolin-6-ylmethyl)urea is O=C(NCc1ccc2ncccc2c1)N[C@H]1CCC[C@@H]1CCO.
What is the InChIKey of 1-[(1S,2R)-2-(2-hydroxyethyl)cyclopentyl]-3-(quinolin-6-ylmethyl)urea?
The InChIKey is HLDQOKWHDNMAET-PBHICJAKSA-N. The full InChI is InChI=1S/C18H23N3O2/c22-10-8-14-3-1-5-17(14)21-18(23)20-12-13-6-7-16-15(11-13)4-2-9-19-16/h2,4,6-7,9,11,14,17,22H,1,3,5,8,10,12H2,(H2,20,21,23)/t14-,17+/m1/s1.
What are the key properties of 1-[(1S,2R)-2-(2-hydroxyethyl)cyclopentyl]-3-(quinolin-6-ylmethyl)urea?
1-[(1S,2R)-2-(2-hydroxyethyl)cyclopentyl]-3-(quinolin-6-ylmethyl)urea has a molecular weight of 313.40 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-(2-hydroxyethyl)cyclopentyl]-3-(quinolin-6-ylmethyl)urea is sourced from PubChem (CID 124627250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).