[1-[4-tert-butyl-3-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]-2-methylpropan-2-yl] carbamate

C25H29N3O4 — CID 175115310

IUPAC[1-[4-tert-butyl-3-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]-2-methylpropan-2-yl] carbamate
SMILESCC(C)(Cc1ccc(C(C)(C)C)c(NC(=O)c2c[nH]c3ccccc3c2=O)c1)OC(N)=O
InChIInChI=1S/C25H29N3O4/c1-24(2,3)18-11-10-15(13-25(4,5)32-23(26)31)12-20(18)28-22(30)17-14-27-19-9-7-6-8-16(19)21(17)29/h6-12,14H,13H2,1-5H3,(H2,26,31)(H,27,29)(H,28,30)
InChIKeyBYYQSYAVCPAMSA-UHFFFAOYSA-N
MW435.52 g/mol
LogP4.49
Rot. Bonds5

About [1-[4-tert-butyl-3-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]-2-methylpropan-2-yl] carbamate

[1-[4-tert-butyl-3-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]-2-methylpropan-2-yl] carbamate (PubChem CID 175115310) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is [1-[4-tert-butyl-3-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]-2-methylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[4-tert-butyl-3-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]-2-methylpropan-2-yl] carbamate
PubChem CID175115310
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name[1-[4-tert-butyl-3-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]-2-methylpropan-2-yl] carbamate
SMILESCC(C)(Cc1ccc(C(C)(C)C)c(NC(=O)c2c[nH]c3ccccc3c2=O)c1)OC(N)=O
InChIInChI=1S/C25H29N3O4/c1-24(2,3)18-11-10-15(13-25(4,5)32-23(26)31)12-20(18)28-22(30)17-14-27-19-9-7-6-8-16(19)21(17)29/h6-12,14H,13H2,1-5H3,(H2,26,31)(H,27,29)(H,28,30)
InChIKeyBYYQSYAVCPAMSA-UHFFFAOYSA-N
XLogP4.49
TPSA114.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [1-[4-tert-butyl-3-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]-2-methylpropan-2-yl] carbamate with MolForge

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Related Compounds

[1-[2-tert-butyl-5-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]-2-methylpropan-2-yl] N-methylcarbamate
CID 175108424
N-(4-tert-butyl-5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 53247257
N-(4-tert-butyl-2-ethyl-5-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 87461578
N-[2-tert-butyl-5-hydroxy-4-(2-methylbutan-2-yl)phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 59544162
N-[2-tert-butyl-4-[diethyl(methyl)-λ4-sulfanyl]-5-hydroxyphenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 138649676
[2-tert-butyl-4-fluoro-6-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl] methyl carbonate
CID 66675011
N-[4-tert-butyl-2-[tert-butyl(dimethyl)-λ4-sulfanyl]-5-hydroxyphenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 138650069
N-[2,4-bis(1,1-diiodo-2-methylpropan-2-yl)-5-hydroxyphenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 130421660
N-[2-tert-butyl-5-hydroxy-4-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 167163845
ethane;N-(2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide;propane
CID 90785095
5-amino-2-tert-butyl-3-deuterio-4-(1,1,1-trideuterio-2-methylpropan-2-yl)phenol;N-[4-tert-butyl-3-deuterio-2-(1,1,1,3,3,3-hexadeuterio-2-methylpropan-2-yl)-5-hydroxyphenyl]-4-oxo-1H-quinoline-3-carboxamide;4-oxo-1H-quinoline-3-carboxylic acid
CID 160539867
[4-(2-ethoxyphenyl)-3-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]methylcarbamic acid
CID 66676219

Frequently Asked Questions

What is the IUPAC name of [1-[4-tert-butyl-3-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]-2-methylpropan-2-yl] carbamate?
The IUPAC name of [1-[4-tert-butyl-3-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]-2-methylpropan-2-yl] carbamate (CID 175115310) is [1-[4-tert-butyl-3-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]-2-methylpropan-2-yl] carbamate.
What is the SMILES notation for [1-[4-tert-butyl-3-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]-2-methylpropan-2-yl] carbamate?
The canonical SMILES for [1-[4-tert-butyl-3-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]-2-methylpropan-2-yl] carbamate is CC(C)(Cc1ccc(C(C)(C)C)c(NC(=O)c2c[nH]c3ccccc3c2=O)c1)OC(N)=O.
What is the InChIKey of [1-[4-tert-butyl-3-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]-2-methylpropan-2-yl] carbamate?
The InChIKey is BYYQSYAVCPAMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-24(2,3)18-11-10-15(13-25(4,5)32-23(26)31)12-20(18)28-22(30)17-14-27-19-9-7-6-8-16(19)21(17)29/h6-12,14H,13H2,1-5H3,(H2,26,31)(H,27,29)(H,28,30).
What are the key properties of [1-[4-tert-butyl-3-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]-2-methylpropan-2-yl] carbamate?
[1-[4-tert-butyl-3-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]-2-methylpropan-2-yl] carbamate has a molecular weight of 435.52 g/mol, XLogP of 4.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-tert-butyl-3-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]-2-methylpropan-2-yl] carbamate is sourced from PubChem (CID 175115310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).