3-(1-cyclohexylcyclopropyl)-1-[(8-methoxyquinolin-5-yl)methyl]-1-methylurea

C22H29N3O2 — CID 122568329

IUPAC3-(1-cyclohexylcyclopropyl)-1-[(8-methoxyquinolin-5-yl)methyl]-1-methylurea
SMILESCOc1ccc(CN(C)C(=O)NC2(C3CCCCC3)CC2)c2cccnc12
InChIInChI=1S/C22H29N3O2/c1-25(21(26)24-22(12-13-22)17-7-4-3-5-8-17)15-16-10-11-19(27-2)20-18(16)9-6-14-23-20/h6,9-11,14,17H,3-5,7-8,12-13,15H2,1-2H3,(H,24,26)
InChIKeyZWBPAXNRBUXHEQ-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.50
Rot. Bonds5

About 3-(1-cyclohexylcyclopropyl)-1-[(8-methoxyquinolin-5-yl)methyl]-1-methylurea

3-(1-cyclohexylcyclopropyl)-1-[(8-methoxyquinolin-5-yl)methyl]-1-methylurea (PubChem CID 122568329) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 3-(1-cyclohexylcyclopropyl)-1-[(8-methoxyquinolin-5-yl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-(1-cyclohexylcyclopropyl)-1-[(8-methoxyquinolin-5-yl)methyl]-1-methylurea
PubChem CID122568329
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name3-(1-cyclohexylcyclopropyl)-1-[(8-methoxyquinolin-5-yl)methyl]-1-methylurea
SMILESCOc1ccc(CN(C)C(=O)NC2(C3CCCCC3)CC2)c2cccnc12
InChIInChI=1S/C22H29N3O2/c1-25(21(26)24-22(12-13-22)17-7-4-3-5-8-17)15-16-10-11-19(27-2)20-18(16)9-6-14-23-20/h6,9-11,14,17H,3-5,7-8,12-13,15H2,1-2H3,(H,24,26)
InChIKeyZWBPAXNRBUXHEQ-UHFFFAOYSA-N
XLogP4.50
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(8-methoxyquinolin-5-yl)methyl]-1-methyl-3-[(2S)-2-methylbutyl]urea
CID 126435880
N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 74235153
3-[(8-methoxyquinolin-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide
CID 91828636
N-[(8-methoxyquinolin-5-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
CID 154895054
3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[(8-methoxyquinolin-5-yl)methyl]-1-methylurea
CID 119058607
N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-2-morpholin-2-ylacetamide
CID 77092764
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-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 70730340
2-ethyl-N-[(8-methoxyquinolin-5-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide
CID 77089417
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
N-[(8-methoxyquinolin-5-yl)methyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 74242304

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexylcyclopropyl)-1-[(8-methoxyquinolin-5-yl)methyl]-1-methylurea?
The IUPAC name of 3-(1-cyclohexylcyclopropyl)-1-[(8-methoxyquinolin-5-yl)methyl]-1-methylurea (CID 122568329) is 3-(1-cyclohexylcyclopropyl)-1-[(8-methoxyquinolin-5-yl)methyl]-1-methylurea.
What is the SMILES notation for 3-(1-cyclohexylcyclopropyl)-1-[(8-methoxyquinolin-5-yl)methyl]-1-methylurea?
The canonical SMILES for 3-(1-cyclohexylcyclopropyl)-1-[(8-methoxyquinolin-5-yl)methyl]-1-methylurea is COc1ccc(CN(C)C(=O)NC2(C3CCCCC3)CC2)c2cccnc12.
What is the InChIKey of 3-(1-cyclohexylcyclopropyl)-1-[(8-methoxyquinolin-5-yl)methyl]-1-methylurea?
The InChIKey is ZWBPAXNRBUXHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-25(21(26)24-22(12-13-22)17-7-4-3-5-8-17)15-16-10-11-19(27-2)20-18(16)9-6-14-23-20/h6,9-11,14,17H,3-5,7-8,12-13,15H2,1-2H3,(H,24,26).
What are the key properties of 3-(1-cyclohexylcyclopropyl)-1-[(8-methoxyquinolin-5-yl)methyl]-1-methylurea?
3-(1-cyclohexylcyclopropyl)-1-[(8-methoxyquinolin-5-yl)methyl]-1-methylurea has a molecular weight of 367.49 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexylcyclopropyl)-1-[(8-methoxyquinolin-5-yl)methyl]-1-methylurea is sourced from PubChem (CID 122568329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).