3-(3-methylpyrazol-1-yl)-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide

C27H30N4O2S — CID 118757755

IUPAC3-(3-methylpyrazol-1-yl)-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1ccc2cc(CN(CC3CCCO3)C(=O)CCn3ccc(C)n3)c(-c3cccs3)nc2c1
InChIInChI=1S/C27H30N4O2S/c1-19-7-8-21-16-22(27(28-24(21)15-19)25-6-4-14-34-25)17-30(18-23-5-3-13-33-23)26(32)10-12-31-11-9-20(2)29-31/h4,6-9,11,14-16,23H,3,5,10,12-13,17-18H2,1-2H3
InChIKeyYVMHINUMCAIYNQ-UHFFFAOYSA-N
MW474.63 g/mol
LogP5.37
Rot. Bonds8

About 3-(3-methylpyrazol-1-yl)-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide

3-(3-methylpyrazol-1-yl)-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 118757755) has the molecular formula C27H30N4O2S and a molecular weight of 474.63 g/mol. Its IUPAC name is 3-(3-methylpyrazol-1-yl)-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3-methylpyrazol-1-yl)-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID118757755
Molecular FormulaC27H30N4O2S
Molecular Weight474.63 g/mol
Exact Mass474.21
IUPAC Name3-(3-methylpyrazol-1-yl)-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1ccc2cc(CN(CC3CCCO3)C(=O)CCn3ccc(C)n3)c(-c3cccs3)nc2c1
InChIInChI=1S/C27H30N4O2S/c1-19-7-8-21-16-22(27(28-24(21)15-19)25-6-4-14-34-25)17-30(18-23-5-3-13-33-23)26(32)10-12-31-11-9-20(2)29-31/h4,6-9,11,14-16,23H,3,5,10,12-13,17-18H2,1-2H3
InChIKeyYVMHINUMCAIYNQ-UHFFFAOYSA-N
XLogP5.37
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.63
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethyl-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 45222890
2,3-dimethoxy-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125173420
N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 56854668
3-(4-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 87044999
N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-3-(3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 42368360
4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 55773459
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 55514055
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 60717923
3-(1,3-dioxoisoindol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)propanamide
CID 9194353
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 1077992
N-ethyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 47790099
N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 42819324

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpyrazol-1-yl)-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-(3-methylpyrazol-1-yl)-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide (CID 118757755) is 3-(3-methylpyrazol-1-yl)-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(3-methylpyrazol-1-yl)-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(3-methylpyrazol-1-yl)-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide is Cc1ccc2cc(CN(CC3CCCO3)C(=O)CCn3ccc(C)n3)c(-c3cccs3)nc2c1.
What is the InChIKey of 3-(3-methylpyrazol-1-yl)-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is YVMHINUMCAIYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2S/c1-19-7-8-21-16-22(27(28-24(21)15-19)25-6-4-14-34-25)17-30(18-23-5-3-13-33-23)26(32)10-12-31-11-9-20(2)29-31/h4,6-9,11,14-16,23H,3,5,10,12-13,17-18H2,1-2H3.
What are the key properties of 3-(3-methylpyrazol-1-yl)-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide?
3-(3-methylpyrazol-1-yl)-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 474.63 g/mol, XLogP of 5.37, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpyrazol-1-yl)-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 118757755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).