1-[(2S,3R)-2-cyclopropyloxolan-3-yl]-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]urea

C19H25N3O3 — CID 124880619

IUPAC1-[(2S,3R)-2-cyclopropyloxolan-3-yl]-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]urea
SMILESO=C(NCC(=O)N1CCCc2ccccc21)N[C@@H]1CCO[C@H]1C1CC1
InChIInChI=1S/C19H25N3O3/c23-17(22-10-3-5-13-4-1-2-6-16(13)22)12-20-19(24)21-15-9-11-25-18(15)14-7-8-14/h1-2,4,6,14-15,18H,3,5,7-12H2,(H2,20,21,24)/t15-,18+/m1/s1
InChIKeyLNNKIWPPIBMFNH-QAPCUYQASA-N
MW343.43 g/mol
LogP1.83
Rot. Bonds4

About 1-[(2S,3R)-2-cyclopropyloxolan-3-yl]-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]urea

1-[(2S,3R)-2-cyclopropyloxolan-3-yl]-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]urea (PubChem CID 124880619) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[(2S,3R)-2-cyclopropyloxolan-3-yl]-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]urea.

Molecular Properties

Compound Name1-[(2S,3R)-2-cyclopropyloxolan-3-yl]-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]urea
PubChem CID124880619
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-[(2S,3R)-2-cyclopropyloxolan-3-yl]-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]urea
SMILESO=C(NCC(=O)N1CCCc2ccccc21)N[C@@H]1CCO[C@H]1C1CC1
InChIInChI=1S/C19H25N3O3/c23-17(22-10-3-5-13-4-1-2-6-16(13)22)12-20-19(24)21-15-9-11-25-18(15)14-7-8-14/h1-2,4,6,14-15,18H,3,5,7-12H2,(H2,20,21,24)/t15-,18+/m1/s1
InChIKeyLNNKIWPPIBMFNH-QAPCUYQASA-N
XLogP1.83
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2S,3R)-2-cyclopropyloxolan-3-yl]-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
CID 1439765
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673139
3-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119747301
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N'-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109441773
2-(cyclopropylmethylamino)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone;hydrochloride
CID 119732412
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(oxolan-2-ylmethyl)propanamide
CID 108943685
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea
CID 95308044
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 53125842
(E)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 53125865
1-tert-butyl-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]urea
CID 46383527
2-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]propanamide;hydrochloride
CID 119302463
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 47714484

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3R)-2-cyclopropyloxolan-3-yl]-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]urea?
The IUPAC name of 1-[(2S,3R)-2-cyclopropyloxolan-3-yl]-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]urea (CID 124880619) is 1-[(2S,3R)-2-cyclopropyloxolan-3-yl]-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]urea.
What is the SMILES notation for 1-[(2S,3R)-2-cyclopropyloxolan-3-yl]-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]urea?
The canonical SMILES for 1-[(2S,3R)-2-cyclopropyloxolan-3-yl]-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]urea is O=C(NCC(=O)N1CCCc2ccccc21)N[C@@H]1CCO[C@H]1C1CC1.
What is the InChIKey of 1-[(2S,3R)-2-cyclopropyloxolan-3-yl]-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]urea?
The InChIKey is LNNKIWPPIBMFNH-QAPCUYQASA-N. The full InChI is InChI=1S/C19H25N3O3/c23-17(22-10-3-5-13-4-1-2-6-16(13)22)12-20-19(24)21-15-9-11-25-18(15)14-7-8-14/h1-2,4,6,14-15,18H,3,5,7-12H2,(H2,20,21,24)/t15-,18+/m1/s1.
What are the key properties of 1-[(2S,3R)-2-cyclopropyloxolan-3-yl]-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]urea?
1-[(2S,3R)-2-cyclopropyloxolan-3-yl]-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]urea has a molecular weight of 343.43 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3R)-2-cyclopropyloxolan-3-yl]-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]urea is sourced from PubChem (CID 124880619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).