1-[(8-methoxyquinolin-5-yl)methyl]-1-methyl-3-[(2S)-2-methylbutyl]urea

C18H25N3O2 — CID 126435880

IUPAC1-[(8-methoxyquinolin-5-yl)methyl]-1-methyl-3-[(2S)-2-methylbutyl]urea
SMILESCC[C@H](C)CNC(=O)N(C)Cc1ccc(OC)c2ncccc12
InChIInChI=1S/C18H25N3O2/c1-5-13(2)11-20-18(22)21(3)12-14-8-9-16(23-4)17-15(14)7-6-10-19-17/h6-10,13H,5,11-12H2,1-4H3,(H,20,22)/t13-/m0/s1
InChIKeyLIDIEBIZGVJFIL-ZDUSSCGKSA-N
MW315.42 g/mol
LogP3.43
Rot. Bonds6

About 1-[(8-methoxyquinolin-5-yl)methyl]-1-methyl-3-[(2S)-2-methylbutyl]urea

1-[(8-methoxyquinolin-5-yl)methyl]-1-methyl-3-[(2S)-2-methylbutyl]urea (PubChem CID 126435880) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[(8-methoxyquinolin-5-yl)methyl]-1-methyl-3-[(2S)-2-methylbutyl]urea.

Molecular Properties

Compound Name1-[(8-methoxyquinolin-5-yl)methyl]-1-methyl-3-[(2S)-2-methylbutyl]urea
PubChem CID126435880
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-[(8-methoxyquinolin-5-yl)methyl]-1-methyl-3-[(2S)-2-methylbutyl]urea
SMILESCC[C@H](C)CNC(=O)N(C)Cc1ccc(OC)c2ncccc12
InChIInChI=1S/C18H25N3O2/c1-5-13(2)11-20-18(22)21(3)12-14-8-9-16(23-4)17-15(14)7-6-10-19-17/h6-10,13H,5,11-12H2,1-4H3,(H,20,22)/t13-/m0/s1
InChIKeyLIDIEBIZGVJFIL-ZDUSSCGKSA-N
XLogP3.43
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(8-methoxyquinolin-5-yl)methyl]-1-methyl-3-[(2S)-2-methylbutyl]urea with MolForge

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Related Compounds

3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[(8-methoxyquinolin-5-yl)methyl]-1-methylurea
CID 119058607
3-[(8-methoxyquinolin-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide
CID 91828636
N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 70730340
3-(1-cyclohexylcyclopropyl)-1-[(8-methoxyquinolin-5-yl)methyl]-1-methylurea
CID 122568329
2-ethyl-N-[(8-methoxyquinolin-5-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide
CID 77089417
N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-3-[(2R)-2-phenylpropyl]-1,2-oxazole-5-carboxamide
CID 42498875
3-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-[(8-methoxyquinolin-5-yl)methyl]-1-methylurea;2,2,2-trifluoroacetic acid
CID 154887533
N-[(8-methoxyquinolin-5-yl)methyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 74242304
(2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylacetamide
CID 97156555
2-ethyl-N-(8-methoxyquinolin-5-yl)butanamide
CID 26823136
N-[(8-methoxyquinolin-5-yl)methyl]hydroxylamine
CID 117292523
N-[(8-methoxyquinolin-5-yl)methyl]-N,6-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 74242827

Frequently Asked Questions

What is the IUPAC name of 1-[(8-methoxyquinolin-5-yl)methyl]-1-methyl-3-[(2S)-2-methylbutyl]urea?
The IUPAC name of 1-[(8-methoxyquinolin-5-yl)methyl]-1-methyl-3-[(2S)-2-methylbutyl]urea (CID 126435880) is 1-[(8-methoxyquinolin-5-yl)methyl]-1-methyl-3-[(2S)-2-methylbutyl]urea.
What is the SMILES notation for 1-[(8-methoxyquinolin-5-yl)methyl]-1-methyl-3-[(2S)-2-methylbutyl]urea?
The canonical SMILES for 1-[(8-methoxyquinolin-5-yl)methyl]-1-methyl-3-[(2S)-2-methylbutyl]urea is CC[C@H](C)CNC(=O)N(C)Cc1ccc(OC)c2ncccc12.
What is the InChIKey of 1-[(8-methoxyquinolin-5-yl)methyl]-1-methyl-3-[(2S)-2-methylbutyl]urea?
The InChIKey is LIDIEBIZGVJFIL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-5-13(2)11-20-18(22)21(3)12-14-8-9-16(23-4)17-15(14)7-6-10-19-17/h6-10,13H,5,11-12H2,1-4H3,(H,20,22)/t13-/m0/s1.
What are the key properties of 1-[(8-methoxyquinolin-5-yl)methyl]-1-methyl-3-[(2S)-2-methylbutyl]urea?
1-[(8-methoxyquinolin-5-yl)methyl]-1-methyl-3-[(2S)-2-methylbutyl]urea has a molecular weight of 315.42 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8-methoxyquinolin-5-yl)methyl]-1-methyl-3-[(2S)-2-methylbutyl]urea is sourced from PubChem (CID 126435880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).