N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]quinoline-2-carboxamide

C27H38N2OSi — CID 155618819

IUPACN-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]quinoline-2-carboxamide
SMILESCC(C)[Si](C#CC1CCCC(NC(=O)c2ccc3ccccc3n2)C1)(C(C)C)C(C)C
InChIInChI=1S/C27H38N2OSi/c1-19(2)31(20(3)4,21(5)6)17-16-22-10-9-12-24(18-22)28-27(30)26-15-14-23-11-7-8-13-25(23)29-26/h7-8,11,13-15,19-22,24H,9-10,12,18H2,1-6H3,(H,28,30)
InChIKeyDEJUUDDZTMGASL-UHFFFAOYSA-N
MW434.70 g/mol
LogP6.74
Rot. Bonds5

About N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]quinoline-2-carboxamide

N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]quinoline-2-carboxamide (PubChem CID 155618819) has the molecular formula C27H38N2OSi and a molecular weight of 434.70 g/mol. Its IUPAC name is N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]quinoline-2-carboxamide
PubChem CID155618819
Molecular FormulaC27H38N2OSi
Molecular Weight434.70 g/mol
Exact Mass434.28
IUPAC NameN-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]quinoline-2-carboxamide
SMILESCC(C)[Si](C#CC1CCCC(NC(=O)c2ccc3ccccc3n2)C1)(C(C)C)C(C)C
InChIInChI=1S/C27H38N2OSi/c1-19(2)31(20(3)4,21(5)6)17-16-22-10-9-12-24(18-22)28-27(30)26-15-14-23-11-7-8-13-25(23)29-26/h7-8,11,13-15,19-22,24H,9-10,12,18H2,1-6H3,(H,28,30)
InChIKeyDEJUUDDZTMGASL-UHFFFAOYSA-N
XLogP6.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.70
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-tri(propan-2-yl)silylethynyl]cycloheptyl]pyridine-2-carboxamide
CID 155618824
3-methyl-N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]pyridine-2-carboxamide
CID 155618832
1-methyl-N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]indazole-3-carboxamide
CID 155618833
N-(1-propan-2-ylazetidin-3-yl)quinoline-2-carboxamide
CID 100627820
N-(3-oxocyclobutyl)quinoline-2-carboxamide
CID 141469344
N-(2-aminocyclopentyl)quinoline-2-carboxamide
CID 63251270
2-(quinoline-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 64814765
N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]quinoline-2-carboxamide
CID 96506885
3-[4-(quinoline-2-carbonylamino)cyclohexylidene]propanoic acid
CID 174670110
N-cyclobutyl-1,8-naphthyridine-2-carboxamide
CID 177046765
N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-2-carboxamide
CID 5135545
7-chloro-N-cyclopentylquinoline-2-carboxamide
CID 110490278

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]quinoline-2-carboxamide?
The IUPAC name of N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]quinoline-2-carboxamide (CID 155618819) is N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]quinoline-2-carboxamide?
The canonical SMILES for N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]quinoline-2-carboxamide is CC(C)[Si](C#CC1CCCC(NC(=O)c2ccc3ccccc3n2)C1)(C(C)C)C(C)C.
What is the InChIKey of N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]quinoline-2-carboxamide?
The InChIKey is DEJUUDDZTMGASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2OSi/c1-19(2)31(20(3)4,21(5)6)17-16-22-10-9-12-24(18-22)28-27(30)26-15-14-23-11-7-8-13-25(23)29-26/h7-8,11,13-15,19-22,24H,9-10,12,18H2,1-6H3,(H,28,30).
What are the key properties of N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]quinoline-2-carboxamide?
N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]quinoline-2-carboxamide has a molecular weight of 434.70 g/mol, XLogP of 6.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]quinoline-2-carboxamide is sourced from PubChem (CID 155618819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).