4-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]-N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]benzamide

C30H32N4O3 — CID 171564609

IUPAC4-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]-N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]benzamide
SMILESCC1(C)C(NC(=O)c2ccc(N3CC4C[C@H]4C3)cc2)C(C)(C)C1Oc1ccc(C#N)c2[nH]c(=O)ccc12
InChIInChI=1S/C30H32N4O3/c1-29(2)27(33-26(36)17-5-8-21(9-6-17)34-15-19-13-20(19)16-34)30(3,4)28(29)37-23-11-7-18(14-31)25-22(23)10-12-24(35)32-25/h5-12,19-20,27-28H,13,15-16H2,1-4H3,(H,32,35)(H,33,36)/t19-,20?,27?,28?/m0/s1
InChIKeyMFMBGQJYWQFZGX-NJXSQCAJSA-N
MW496.61 g/mol
LogP4.47
Rot. Bonds5

About 4-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]-N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]benzamide

4-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]-N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]benzamide (PubChem CID 171564609) has the molecular formula C30H32N4O3 and a molecular weight of 496.61 g/mol. Its IUPAC name is 4-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]-N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]benzamide.

Molecular Properties

Compound Name4-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]-N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]benzamide
PubChem CID171564609
Molecular FormulaC30H32N4O3
Molecular Weight496.61 g/mol
Exact Mass496.25
IUPAC Name4-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]-N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]benzamide
SMILESCC1(C)C(NC(=O)c2ccc(N3CC4C[C@H]4C3)cc2)C(C)(C)C1Oc1ccc(C#N)c2[nH]c(=O)ccc12
InChIInChI=1S/C30H32N4O3/c1-29(2)27(33-26(36)17-5-8-21(9-6-17)34-15-19-13-20(19)16-34)30(3,4)28(29)37-23-11-7-18(14-31)25-22(23)10-12-24(35)32-25/h5-12,19-20,27-28H,13,15-16H2,1-4H3,(H,32,35)(H,33,36)/t19-,20?,27?,28?/m0/s1
InChIKeyMFMBGQJYWQFZGX-NJXSQCAJSA-N
XLogP4.47
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]-N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]benzamide with MolForge

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Launch Full Analysis

Related Compounds

4-[2-[[1-[4-[[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-[(3S)-2,6-dioxopiperidin-3-yl]-2-fluorobenzamide
CID 171564785
N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[(3R)-3-[[4-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]pyrrolidin-1-yl]benzamide
CID 171724513
N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[5-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]piperidin-1-yl]benzamide
CID 171724490
N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]-4-methylpiperidin-1-yl]benzamide
CID 171724543
N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[(2R)-4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]azetidin-3-yl]methyl]-2-methylpiperazin-1-yl]benzamide
CID 171564744
N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[(3S)-3-[[4-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]-3-fluoropyrrolidin-1-yl]benzamide
CID 171564555
1-[4-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]ethanone;2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-(dipropylamino)benzaldehyde;ethane;2-oxo-5-(2,2,3,4,4-pentamethylcyclobutyl)oxy-1H-quinoline-8-carbonitrile;propane
CID 171564765
4-[4-(azetidin-3-yl)piperazin-1-yl]-N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]benzamide
CID 134414207
N-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-(7-hydroxy-2-azaspiro[3.5]nonan-2-yl)benzamide
CID 176984078
N-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-(4-methylpiperidin-1-yl)benzamide
CID 170683290
N-[3-(4-cyano-3-methylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-(7-hydroxy-2-azaspiro[3.5]nonan-2-yl)benzamide
CID 176982845
N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[(3S)-3-(piperidin-4-ylmethoxy)pyrrolidin-1-yl]benzamide
CID 134414376

Frequently Asked Questions

What is the IUPAC name of 4-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]-N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]benzamide?
The IUPAC name of 4-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]-N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]benzamide (CID 171564609) is 4-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]-N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]benzamide.
What is the SMILES notation for 4-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]-N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]benzamide?
The canonical SMILES for 4-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]-N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]benzamide is CC1(C)C(NC(=O)c2ccc(N3CC4C[C@H]4C3)cc2)C(C)(C)C1Oc1ccc(C#N)c2[nH]c(=O)ccc12.
What is the InChIKey of 4-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]-N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]benzamide?
The InChIKey is MFMBGQJYWQFZGX-NJXSQCAJSA-N. The full InChI is InChI=1S/C30H32N4O3/c1-29(2)27(33-26(36)17-5-8-21(9-6-17)34-15-19-13-20(19)16-34)30(3,4)28(29)37-23-11-7-18(14-31)25-22(23)10-12-24(35)32-25/h5-12,19-20,27-28H,13,15-16H2,1-4H3,(H,32,35)(H,33,36)/t19-,20?,27?,28?/m0/s1.
What are the key properties of 4-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]-N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]benzamide?
4-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]-N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]benzamide has a molecular weight of 496.61 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]-N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]benzamide is sourced from PubChem (CID 171564609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).