N-(2-cyanobutan-2-yl)quinoline-8-carboxamide

C15H15N3O — CID 62849552

IUPACN-(2-cyanobutan-2-yl)quinoline-8-carboxamide
SMILESCCC(C)(C#N)NC(=O)c1cccc2cccnc12
InChIInChI=1S/C15H15N3O/c1-3-15(2,10-16)18-14(19)12-8-4-6-11-7-5-9-17-13(11)12/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyCOFMHXAKXRMKTF-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.66
Rot. Bonds3

About N-(2-cyanobutan-2-yl)quinoline-8-carboxamide

N-(2-cyanobutan-2-yl)quinoline-8-carboxamide (PubChem CID 62849552) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is N-(2-cyanobutan-2-yl)quinoline-8-carboxamide.

Molecular Properties

Compound NameN-(2-cyanobutan-2-yl)quinoline-8-carboxamide
PubChem CID62849552
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC NameN-(2-cyanobutan-2-yl)quinoline-8-carboxamide
SMILESCCC(C)(C#N)NC(=O)c1cccc2cccnc12
InChIInChI=1S/C15H15N3O/c1-3-15(2,10-16)18-14(19)12-8-4-6-11-7-5-9-17-13(11)12/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyCOFMHXAKXRMKTF-UHFFFAOYSA-N
XLogP2.66
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanopentan-3-yl)quinoline-8-carboxamide
CID 62849554
N-(1-amino-3-methylpentan-3-yl)quinoline-8-carboxamide
CID 106164386
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)quinoline-8-carboxamide
CID 76975271
N-(2-hydroxy-2-methylpropyl)quinoline-8-carboxamide
CID 65109650
3-chloro-N-(2-cyanobutan-2-yl)-2-fluorobenzamide
CID 80998996
N-(2-cyanobutan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 61119582
N-(2-amino-2-ethylbutyl)quinoline-8-carboxamide;dihydrochloride
CID 119641919
N-[2-ethyl-2-(hydroxymethyl)butyl]quinoline-8-carboxamide
CID 103843875
N-pyrimidin-2-ylquinoline-8-carboxamide
CID 175780986
2-(diethylamino)-2-methyl-1-quinolin-8-ylbutan-1-one
CID 81196407
N-(2-cyanobutan-2-yl)-2-(difluoromethoxy)benzamide
CID 61119977
2,5-dichloro-N-(2-cyanobutan-2-yl)benzamide
CID 51089510

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanobutan-2-yl)quinoline-8-carboxamide?
The IUPAC name of N-(2-cyanobutan-2-yl)quinoline-8-carboxamide (CID 62849552) is N-(2-cyanobutan-2-yl)quinoline-8-carboxamide.
What is the SMILES notation for N-(2-cyanobutan-2-yl)quinoline-8-carboxamide?
The canonical SMILES for N-(2-cyanobutan-2-yl)quinoline-8-carboxamide is CCC(C)(C#N)NC(=O)c1cccc2cccnc12.
What is the InChIKey of N-(2-cyanobutan-2-yl)quinoline-8-carboxamide?
The InChIKey is COFMHXAKXRMKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-3-15(2,10-16)18-14(19)12-8-4-6-11-7-5-9-17-13(11)12/h4-9H,3H2,1-2H3,(H,18,19).
What are the key properties of N-(2-cyanobutan-2-yl)quinoline-8-carboxamide?
N-(2-cyanobutan-2-yl)quinoline-8-carboxamide has a molecular weight of 253.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanobutan-2-yl)quinoline-8-carboxamide is sourced from PubChem (CID 62849552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).