1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(quinolin-8-ylmethyl)urea

C18H23N3O2 — CID 97099557

IUPAC1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(quinolin-8-ylmethyl)urea
SMILESCCN(C[C@@H]1CCCO1)C(=O)NCc1cccc2cccnc12
InChIInChI=1S/C18H23N3O2/c1-2-21(13-16-9-5-11-23-16)18(22)20-12-15-7-3-6-14-8-4-10-19-17(14)15/h3-4,6-8,10,16H,2,5,9,11-13H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeyLKGARYDUAAPFPJ-INIZCTEOSA-N
MW313.40 g/mol
LogP2.95
Rot. Bonds5

About 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(quinolin-8-ylmethyl)urea

1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(quinolin-8-ylmethyl)urea (PubChem CID 97099557) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(quinolin-8-ylmethyl)urea.

Molecular Properties

Compound Name1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(quinolin-8-ylmethyl)urea
PubChem CID97099557
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(quinolin-8-ylmethyl)urea
SMILESCCN(C[C@@H]1CCCO1)C(=O)NCc1cccc2cccnc12
InChIInChI=1S/C18H23N3O2/c1-2-21(13-16-9-5-11-23-16)18(22)20-12-15-7-3-6-14-8-4-10-19-17(14)15/h3-4,6-8,10,16H,2,5,9,11-13H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeyLKGARYDUAAPFPJ-INIZCTEOSA-N
XLogP2.95
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-piperidin-1-yl-3-pyridinyl)methyl]urea
CID 95762761
3-[(2-methoxy-3-pyridinyl)methyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea
CID 94077984
1-[[(2S)-oxolan-2-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-quinolin-8-ylurea
CID 95152122
1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-pyrrolidin-1-ylphenyl)methyl]urea
CID 95762745
3-[[2-(difluoromethoxy)phenyl]methyl]-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 95598545
N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62179617
3-[(2-chlorophenyl)methyl]-1-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea
CID 121499245
oxolan-2-ylmethyl N-[(8-hydroxyquinolin-7-yl)methyl]carbamate
CID 154770124
N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 26322660
1-ethyl-3-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 126429384
3-[(2-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea
CID 47065691
N-[2-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]ethyl]-2-fluorobenzamide
CID 95762744

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(quinolin-8-ylmethyl)urea?
The IUPAC name of 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(quinolin-8-ylmethyl)urea (CID 97099557) is 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(quinolin-8-ylmethyl)urea.
What is the SMILES notation for 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(quinolin-8-ylmethyl)urea?
The canonical SMILES for 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(quinolin-8-ylmethyl)urea is CCN(C[C@@H]1CCCO1)C(=O)NCc1cccc2cccnc12.
What is the InChIKey of 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(quinolin-8-ylmethyl)urea?
The InChIKey is LKGARYDUAAPFPJ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-21(13-16-9-5-11-23-16)18(22)20-12-15-7-3-6-14-8-4-10-19-17(14)15/h3-4,6-8,10,16H,2,5,9,11-13H2,1H3,(H,20,22)/t16-/m0/s1.
What are the key properties of 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(quinolin-8-ylmethyl)urea?
1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(quinolin-8-ylmethyl)urea has a molecular weight of 313.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(quinolin-8-ylmethyl)urea is sourced from PubChem (CID 97099557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).