1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyquinolin-4-yl)methyl]-1-methylurea

C18H23N3O2 — CID 96565858

IUPAC1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyquinolin-4-yl)methyl]-1-methylurea
SMILESCOc1cc(CNC(=O)N(C)[C@H](C)C2CC2)c2ccccc2n1
InChIInChI=1S/C18H23N3O2/c1-12(13-8-9-13)21(2)18(22)19-11-14-10-17(23-3)20-16-7-5-4-6-15(14)16/h4-7,10,12-13H,8-9,11H2,1-3H3,(H,19,22)/t12-/m1/s1
InChIKeyHTJQNQLEZXQCGR-GFCCVEGCSA-N
MW313.40 g/mol
LogP3.18
Rot. Bonds5

About 1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyquinolin-4-yl)methyl]-1-methylurea

1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyquinolin-4-yl)methyl]-1-methylurea (PubChem CID 96565858) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyquinolin-4-yl)methyl]-1-methylurea.

Molecular Properties

Compound Name1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyquinolin-4-yl)methyl]-1-methylurea
PubChem CID96565858
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyquinolin-4-yl)methyl]-1-methylurea
SMILESCOc1cc(CNC(=O)N(C)[C@H](C)C2CC2)c2ccccc2n1
InChIInChI=1S/C18H23N3O2/c1-12(13-8-9-13)21(2)18(22)19-11-14-10-17(23-3)20-16-7-5-4-6-15(14)16/h4-7,10,12-13H,8-9,11H2,1-3H3,(H,19,22)/t12-/m1/s1
InChIKeyHTJQNQLEZXQCGR-GFCCVEGCSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyquinolin-4-yl)methyl]-1-methylurea with MolForge

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Related Compounds

1-[(1S)-1-cyclopropylethyl]-3-[(2-methoxyquinolin-4-yl)methyl]-1-methylurea
CID 96565857
3-[(2-methoxyquinolin-4-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122003996
1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyphenyl)methyl]-1-methylurea
CID 38272161
4-[(2-methoxyquinolin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 167758245
N-[(2-methoxyquinolin-4-yl)methyl]pyrrolidine-1-carboxamide
CID 155949082
1-(1-cyclopropylethyl)-1-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea
CID 87004224
(2S)-N-[(2-methoxyquinolin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 96510071
N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide
CID 62169240
N-(1-cyclopropylethyl)-4-hydrazinyl-N-methylquinoline-2-carboxamide
CID 63375607
2-methoxy-N-[(2-methoxyquinolin-4-yl)methyl]-4-methylbenzamide
CID 136533990
5-(methoxymethyl)-N-[(2-methoxyquinolin-4-yl)methyl]furan-2-carboxamide
CID 71998445
1-(1-cyclopropylethyl)-1-methyl-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 87007413

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyquinolin-4-yl)methyl]-1-methylurea?
The IUPAC name of 1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyquinolin-4-yl)methyl]-1-methylurea (CID 96565858) is 1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyquinolin-4-yl)methyl]-1-methylurea.
What is the SMILES notation for 1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyquinolin-4-yl)methyl]-1-methylurea?
The canonical SMILES for 1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyquinolin-4-yl)methyl]-1-methylurea is COc1cc(CNC(=O)N(C)[C@H](C)C2CC2)c2ccccc2n1.
What is the InChIKey of 1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyquinolin-4-yl)methyl]-1-methylurea?
The InChIKey is HTJQNQLEZXQCGR-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12(13-8-9-13)21(2)18(22)19-11-14-10-17(23-3)20-16-7-5-4-6-15(14)16/h4-7,10,12-13H,8-9,11H2,1-3H3,(H,19,22)/t12-/m1/s1.
What are the key properties of 1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyquinolin-4-yl)methyl]-1-methylurea?
1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyquinolin-4-yl)methyl]-1-methylurea has a molecular weight of 313.40 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyquinolin-4-yl)methyl]-1-methylurea is sourced from PubChem (CID 96565858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).