1-[(1R)-1-[(2R)-oxolan-2-yl]propyl]-3-(quinolin-6-ylmethyl)urea

C18H23N3O2 — CID 99840951

IUPAC1-[(1R)-1-[(2R)-oxolan-2-yl]propyl]-3-(quinolin-6-ylmethyl)urea
SMILESCC[C@@H](NC(=O)NCc1ccc2ncccc2c1)[C@H]1CCCO1
InChIInChI=1S/C18H23N3O2/c1-2-15(17-6-4-10-23-17)21-18(22)20-12-13-7-8-16-14(11-13)5-3-9-19-16/h3,5,7-9,11,15,17H,2,4,6,10,12H2,1H3,(H2,20,21,22)/t15-,17-/m1/s1
InChIKeyRXYJCGMQXSQMRV-NVXWUHKLSA-N
MW313.40 g/mol
LogP2.99
Rot. Bonds5

About 1-[(1R)-1-[(2R)-oxolan-2-yl]propyl]-3-(quinolin-6-ylmethyl)urea

1-[(1R)-1-[(2R)-oxolan-2-yl]propyl]-3-(quinolin-6-ylmethyl)urea (PubChem CID 99840951) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[(1R)-1-[(2R)-oxolan-2-yl]propyl]-3-(quinolin-6-ylmethyl)urea.

Molecular Properties

Compound Name1-[(1R)-1-[(2R)-oxolan-2-yl]propyl]-3-(quinolin-6-ylmethyl)urea
PubChem CID99840951
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-[(1R)-1-[(2R)-oxolan-2-yl]propyl]-3-(quinolin-6-ylmethyl)urea
SMILESCC[C@@H](NC(=O)NCc1ccc2ncccc2c1)[C@H]1CCCO1
InChIInChI=1S/C18H23N3O2/c1-2-15(17-6-4-10-23-17)21-18(22)20-12-13-7-8-16-14(11-13)5-3-9-19-16/h3,5,7-9,11,15,17H,2,4,6,10,12H2,1H3,(H2,20,21,22)/t15-,17-/m1/s1
InChIKeyRXYJCGMQXSQMRV-NVXWUHKLSA-N
XLogP2.99
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[(2R)-oxolan-2-yl]propyl]-3-(quinolin-6-ylmethyl)urea?
The IUPAC name of 1-[(1R)-1-[(2R)-oxolan-2-yl]propyl]-3-(quinolin-6-ylmethyl)urea (CID 99840951) is 1-[(1R)-1-[(2R)-oxolan-2-yl]propyl]-3-(quinolin-6-ylmethyl)urea.
What is the SMILES notation for 1-[(1R)-1-[(2R)-oxolan-2-yl]propyl]-3-(quinolin-6-ylmethyl)urea?
The canonical SMILES for 1-[(1R)-1-[(2R)-oxolan-2-yl]propyl]-3-(quinolin-6-ylmethyl)urea is CC[C@@H](NC(=O)NCc1ccc2ncccc2c1)[C@H]1CCCO1.
What is the InChIKey of 1-[(1R)-1-[(2R)-oxolan-2-yl]propyl]-3-(quinolin-6-ylmethyl)urea?
The InChIKey is RXYJCGMQXSQMRV-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-15(17-6-4-10-23-17)21-18(22)20-12-13-7-8-16-14(11-13)5-3-9-19-16/h3,5,7-9,11,15,17H,2,4,6,10,12H2,1H3,(H2,20,21,22)/t15-,17-/m1/s1.
What are the key properties of 1-[(1R)-1-[(2R)-oxolan-2-yl]propyl]-3-(quinolin-6-ylmethyl)urea?
1-[(1R)-1-[(2R)-oxolan-2-yl]propyl]-3-(quinolin-6-ylmethyl)urea has a molecular weight of 313.40 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[(2R)-oxolan-2-yl]propyl]-3-(quinolin-6-ylmethyl)urea is sourced from PubChem (CID 99840951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).