1-[[(2S)-oxolan-2-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-quinolin-8-ylurea

C20H25N3O3 — CID 95152122

IUPAC1-[[(2S)-oxolan-2-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-quinolin-8-ylurea
SMILESO=C(Nc1cccc2cccnc12)N(C[C@H]1CCCO1)C[C@@H]1CCCO1
InChIInChI=1S/C20H25N3O3/c24-20(22-18-9-1-5-15-6-2-10-21-19(15)18)23(13-16-7-3-11-25-16)14-17-8-4-12-26-17/h1-2,5-6,9-10,16-17H,3-4,7-8,11-14H2,(H,22,24)/t16-,17+
InChIKeyGDFDEENVFQEWBJ-CALCHBBNSA-N
MW355.44 g/mol
LogP3.43
Rot. Bonds5

About 1-[[(2S)-oxolan-2-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-quinolin-8-ylurea

1-[[(2S)-oxolan-2-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-quinolin-8-ylurea (PubChem CID 95152122) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[[(2S)-oxolan-2-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-quinolin-8-ylurea.

Molecular Properties

Compound Name1-[[(2S)-oxolan-2-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-quinolin-8-ylurea
PubChem CID95152122
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name1-[[(2S)-oxolan-2-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-quinolin-8-ylurea
SMILESO=C(Nc1cccc2cccnc12)N(C[C@H]1CCCO1)C[C@@H]1CCCO1
InChIInChI=1S/C20H25N3O3/c24-20(22-18-9-1-5-15-6-2-10-21-19(15)18)23(13-16-7-3-11-25-16)14-17-8-4-12-26-17/h1-2,5-6,9-10,16-17H,3-4,7-8,11-14H2,(H,22,24)/t16-,17+
InChIKeyGDFDEENVFQEWBJ-CALCHBBNSA-N
XLogP3.43
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[(2S)-oxolan-2-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-quinolin-8-ylurea with MolForge

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Related Compounds

3-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-quinolin-8-ylpropanamide
CID 113138058
1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(quinolin-8-ylmethyl)urea
CID 97099557
3-(2-methoxy-3-pyridinyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-4-ylmethyl)urea
CID 47849575
3-(2-methylbenzotriazol-4-yl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)urea
CID 125168244
N-quinolin-8-yloxane-2-carboxamide
CID 110863491
3-[(2-methoxy-3-pyridinyl)methyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea
CID 94077984
5-methyl-2-(oxolan-2-yl)-N-quinolin-8-ylbenzamide
CID 132578532
2-[prop-2-enyl(quinolin-8-ylcarbamoyl)amino]acetic acid
CID 79269945
1-benzyl-3-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)urea
CID 47070305
3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 100859036
N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 26322660
3-[2-(1,3,4-oxadiazol-2-yl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)urea
CID 97434919

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-oxolan-2-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-quinolin-8-ylurea?
The IUPAC name of 1-[[(2S)-oxolan-2-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-quinolin-8-ylurea (CID 95152122) is 1-[[(2S)-oxolan-2-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-quinolin-8-ylurea.
What is the SMILES notation for 1-[[(2S)-oxolan-2-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-quinolin-8-ylurea?
The canonical SMILES for 1-[[(2S)-oxolan-2-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-quinolin-8-ylurea is O=C(Nc1cccc2cccnc12)N(C[C@H]1CCCO1)C[C@@H]1CCCO1.
What is the InChIKey of 1-[[(2S)-oxolan-2-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-quinolin-8-ylurea?
The InChIKey is GDFDEENVFQEWBJ-CALCHBBNSA-N. The full InChI is InChI=1S/C20H25N3O3/c24-20(22-18-9-1-5-15-6-2-10-21-19(15)18)23(13-16-7-3-11-25-16)14-17-8-4-12-26-17/h1-2,5-6,9-10,16-17H,3-4,7-8,11-14H2,(H,22,24)/t16-,17+.
What are the key properties of 1-[[(2S)-oxolan-2-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-quinolin-8-ylurea?
1-[[(2S)-oxolan-2-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-quinolin-8-ylurea has a molecular weight of 355.44 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-oxolan-2-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-quinolin-8-ylurea is sourced from PubChem (CID 95152122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).