N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-(2-propan-2-ylphenoxy)propanamide

C27H30N4O2 — CID 108769696

IUPACN-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-(2-propan-2-ylphenoxy)propanamide
SMILESCc1cc(NC(=O)C(C)Oc2ccccc2C(C)C)n(-c2cc(C)c3cccc(C)c3n2)n1
InChIInChI=1S/C27H30N4O2/c1-16(2)21-11-7-8-13-23(21)33-20(6)27(32)29-25-15-19(5)30-31(25)24-14-18(4)22-12-9-10-17(3)26(22)28-24/h7-16,20H,1-6H3,(H,29,32)
InChIKeyUMNKVAMDVAYOFD-UHFFFAOYSA-N
MW442.56 g/mol
LogP5.88
Rot. Bonds6

About N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-(2-propan-2-ylphenoxy)propanamide

N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-(2-propan-2-ylphenoxy)propanamide (PubChem CID 108769696) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-(2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-(2-propan-2-ylphenoxy)propanamide
PubChem CID108769696
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC NameN-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-(2-propan-2-ylphenoxy)propanamide
SMILESCc1cc(NC(=O)C(C)Oc2ccccc2C(C)C)n(-c2cc(C)c3cccc(C)c3n2)n1
InChIInChI=1S/C27H30N4O2/c1-16(2)21-11-7-8-13-23(21)33-20(6)27(32)29-25-15-19(5)30-31(25)24-14-18(4)22-12-9-10-17(3)26(22)28-24/h7-16,20H,1-6H3,(H,29,32)
InChIKeyUMNKVAMDVAYOFD-UHFFFAOYSA-N
XLogP5.88
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(2-methyl-6-propan-2-ylphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 38017144
methyl 4-[[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]amino]-4-oxobutanoate
CID 108747124
N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-5-methylfuran-2-carboxamide
CID 108747115
2-(4-chloro-3-methylphenoxy)-N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 108769694
1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide
CID 108747623
N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108797824
(2S)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 28636194
(2R)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 28636193
(2S)-N-(2,5-dimethylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 95284436
2-(2,5-dichlorophenoxy)-N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 108769235
4-(4-chlorophenoxy)-N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]butanamide
CID 108769248
3-methyl-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-1-benzofuran-2-carboxamide
CID 108805486

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-(2-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-(2-propan-2-ylphenoxy)propanamide (CID 108769696) is N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-(2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-(2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-(2-propan-2-ylphenoxy)propanamide is Cc1cc(NC(=O)C(C)Oc2ccccc2C(C)C)n(-c2cc(C)c3cccc(C)c3n2)n1.
What is the InChIKey of N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-(2-propan-2-ylphenoxy)propanamide?
The InChIKey is UMNKVAMDVAYOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-16(2)21-11-7-8-13-23(21)33-20(6)27(32)29-25-15-19(5)30-31(25)24-14-18(4)22-12-9-10-17(3)26(22)28-24/h7-16,20H,1-6H3,(H,29,32).
What are the key properties of N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-(2-propan-2-ylphenoxy)propanamide?
N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-(2-propan-2-ylphenoxy)propanamide has a molecular weight of 442.56 g/mol, XLogP of 5.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-(2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 108769696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).