2-[[(5-chloroquinolin-8-yl)amino]methyl]-N-cyclobutyl-1,3-oxazole-4-carboxamide

C18H17ClN4O2 — CID 176989225

IUPAC2-[[(5-chloroquinolin-8-yl)amino]methyl]-N-cyclobutyl-1,3-oxazole-4-carboxamide
SMILESO=C(NC1CCC1)c1coc(CNc2ccc(Cl)c3cccnc23)n1
InChIInChI=1S/C18H17ClN4O2/c19-13-6-7-14(17-12(13)5-2-8-20-17)21-9-16-23-15(10-25-16)18(24)22-11-3-1-4-11/h2,5-8,10-11,21H,1,3-4,9H2,(H,22,24)
InChIKeyPLCXNZLUSAEZPD-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.77
Rot. Bonds5

About 2-[[(5-chloroquinolin-8-yl)amino]methyl]-N-cyclobutyl-1,3-oxazole-4-carboxamide

2-[[(5-chloroquinolin-8-yl)amino]methyl]-N-cyclobutyl-1,3-oxazole-4-carboxamide (PubChem CID 176989225) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 2-[[(5-chloroquinolin-8-yl)amino]methyl]-N-cyclobutyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[(5-chloroquinolin-8-yl)amino]methyl]-N-cyclobutyl-1,3-oxazole-4-carboxamide
PubChem CID176989225
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name2-[[(5-chloroquinolin-8-yl)amino]methyl]-N-cyclobutyl-1,3-oxazole-4-carboxamide
SMILESO=C(NC1CCC1)c1coc(CNc2ccc(Cl)c3cccnc23)n1
InChIInChI=1S/C18H17ClN4O2/c19-13-6-7-14(17-12(13)5-2-8-20-17)21-9-16-23-15(10-25-16)18(24)22-11-3-1-4-11/h2,5-8,10-11,21H,1,3-4,9H2,(H,22,24)
InChIKeyPLCXNZLUSAEZPD-UHFFFAOYSA-N
XLogP3.77
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[(5-chloroquinolin-8-yl)amino]methyl]-N-cyclobutyl-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

2-[(5-chloroquinolin-8-yl)amino]-N-cyclopropylacetamide
CID 116784065
1-(5-chloroquinolin-8-yl)-3-cyclopentylurea
CID 47201915
5-chloro-N-cyclohexylquinoline-8-carboxamide
CID 37248042
5-[[(5-chloroquinolin-8-yl)amino]methyl]furan-3-carboxylic acid
CID 104608662
2-(2-aminoethyl)-N-cyclobutyl-1,3-oxazole-4-carboxamide
CID 3254419
4-[(5-chloroquinolin-8-yl)amino]-2-methylbutan-2-ol
CID 116783853
2-[(5-chloroquinolin-8-yl)amino]acetic acid
CID 116783965
N-cyclohexyl-2-[[cyclohexyl(2,2-dimethylpropanoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 42766359
6-[(5-chloroquinolin-8-yl)amino]hexanoic acid
CID 116784056
1-[(5-chloroquinolin-8-yl)amino]-3-cyclopentylpropan-2-ol
CID 103158392
3-[(5-chloroquinolin-8-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 116783958
2-[(5-chloroquinolin-8-yl)amino]-1-morpholin-4-ylethanone
CID 116783960

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-chloroquinolin-8-yl)amino]methyl]-N-cyclobutyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[(5-chloroquinolin-8-yl)amino]methyl]-N-cyclobutyl-1,3-oxazole-4-carboxamide (CID 176989225) is 2-[[(5-chloroquinolin-8-yl)amino]methyl]-N-cyclobutyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[(5-chloroquinolin-8-yl)amino]methyl]-N-cyclobutyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[(5-chloroquinolin-8-yl)amino]methyl]-N-cyclobutyl-1,3-oxazole-4-carboxamide is O=C(NC1CCC1)c1coc(CNc2ccc(Cl)c3cccnc23)n1.
What is the InChIKey of 2-[[(5-chloroquinolin-8-yl)amino]methyl]-N-cyclobutyl-1,3-oxazole-4-carboxamide?
The InChIKey is PLCXNZLUSAEZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c19-13-6-7-14(17-12(13)5-2-8-20-17)21-9-16-23-15(10-25-16)18(24)22-11-3-1-4-11/h2,5-8,10-11,21H,1,3-4,9H2,(H,22,24).
What are the key properties of 2-[[(5-chloroquinolin-8-yl)amino]methyl]-N-cyclobutyl-1,3-oxazole-4-carboxamide?
2-[[(5-chloroquinolin-8-yl)amino]methyl]-N-cyclobutyl-1,3-oxazole-4-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-chloroquinolin-8-yl)amino]methyl]-N-cyclobutyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 176989225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).