5-(8-tert-butyl-1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide

C32H45N3O3 — CID 71582246

IUPAC5-(8-tert-butyl-1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide
SMILESCc1c(C(=O)NC2COC2)cc(-c2cc(C(C)(C)C)c3c(c2)C(C)(C)CC(=O)N3C)n1CC1CCCCC1
InChIInChI=1S/C32H45N3O3/c1-20-24(30(37)33-23-18-38-19-23)15-27(35(20)17-21-11-9-8-10-12-21)22-13-25(31(2,3)4)29-26(14-22)32(5,6)16-28(36)34(29)7/h13-15,21,23H,8-12,16-19H2,1-7H3,(H,33,37)
InChIKeyCUNWPTLRPQTOFS-UHFFFAOYSA-N
MW519.73 g/mol
LogP6.11
Rot. Bonds5

About 5-(8-tert-butyl-1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide

5-(8-tert-butyl-1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide (PubChem CID 71582246) has the molecular formula C32H45N3O3 and a molecular weight of 519.73 g/mol. Its IUPAC name is 5-(8-tert-butyl-1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(8-tert-butyl-1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide
PubChem CID71582246
Molecular FormulaC32H45N3O3
Molecular Weight519.73 g/mol
Exact Mass519.35
IUPAC Name5-(8-tert-butyl-1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide
SMILESCc1c(C(=O)NC2COC2)cc(-c2cc(C(C)(C)C)c3c(c2)C(C)(C)CC(=O)N3C)n1CC1CCCCC1
InChIInChI=1S/C32H45N3O3/c1-20-24(30(37)33-23-18-38-19-23)15-27(35(20)17-21-11-9-8-10-12-21)22-13-25(31(2,3)4)29-26(14-22)32(5,6)16-28(36)34(29)7/h13-15,21,23H,8-12,16-19H2,1-7H3,(H,33,37)
InChIKeyCUNWPTLRPQTOFS-UHFFFAOYSA-N
XLogP6.11
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.73
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(8-tert-butyl-1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide with MolForge

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Related Compounds

5-[3-tert-butyl-4-(2-methylbutan-2-ylamino)sulfanylphenyl]-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide
CID 146357478
5-[2-tert-butyl-6-(2,2,2-trifluoroethoxy)-4-pyridinyl]-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide
CID 71581820
5-[2-tert-butyl-6-[6-[[6-tert-butyl-4-[1-(cyclohexylmethyl)-5-methyl-4-(oxetan-3-ylcarbamoyl)pyrrol-2-yl]-2-pyridinyl]oxy]-2,5-dimethylhexan-2-yl]-4-pyridinyl]-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide
CID 123265166
1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-[(3-methyloxetan-3-yl)methyl]pyrrole-3-carboxamide
CID 71566779
4-[[1-(cyclohexylmethyl)-2-methyl-5-[3-methyl-5-(1-methylcyclopropyl)phenyl]pyrrole-3-carbonyl]amino]-2,2-dimethylbutanoic acid
CID 146357562
[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]-cyclopropylmethanone
CID 118544985
5-[3-bromo-4-(dimethylamino)phenyl]-N-cyclohexyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide
CID 58998991
5-[3-tert-butyl-5-(1-methylcyclopropyl)phenyl]-1-(cyclohexylmethyl)-N-(2,2-dimethyl-3-methylsulfonylpropyl)-2-methylpyrrole-3-carboxamide
CID 149175856
5-[3-tert-butyl-4-[tert-butylsulfanyl(methyl)amino]phenyl]-1-(cyclohexylmethyl)-N-(2-hydroxy-2-methylpropyl)-2-methylpyrrole-3-carboxamide
CID 146357438
5-[3,5-bis(trifluoromethyl)phenyl]-1-(cyclohexylmethyl)-2-methyl-N-piperidin-1-ylpyrrole-3-carboxamide
CID 58999141
5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-1-(cyclohexylmethyl)-N-(2,2-dimethyl-3-methylsulfonylpropyl)-2-methylpyrrole-3-carboxamide
CID 159155665
N-cyclohexyl-1-(cyclopropylmethyl)-5-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrrole-3-carboxamide
CID 58998959

Frequently Asked Questions

What is the IUPAC name of 5-(8-tert-butyl-1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide?
The IUPAC name of 5-(8-tert-butyl-1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide (CID 71582246) is 5-(8-tert-butyl-1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-(8-tert-butyl-1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide?
The canonical SMILES for 5-(8-tert-butyl-1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide is Cc1c(C(=O)NC2COC2)cc(-c2cc(C(C)(C)C)c3c(c2)C(C)(C)CC(=O)N3C)n1CC1CCCCC1.
What is the InChIKey of 5-(8-tert-butyl-1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide?
The InChIKey is CUNWPTLRPQTOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45N3O3/c1-20-24(30(37)33-23-18-38-19-23)15-27(35(20)17-21-11-9-8-10-12-21)22-13-25(31(2,3)4)29-26(14-22)32(5,6)16-28(36)34(29)7/h13-15,21,23H,8-12,16-19H2,1-7H3,(H,33,37).
What are the key properties of 5-(8-tert-butyl-1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide?
5-(8-tert-butyl-1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide has a molecular weight of 519.73 g/mol, XLogP of 6.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-tert-butyl-1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 71582246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).