N-(2-cyanopropan-2-yl)-2-methylquinoline-4-carboxamide

C15H15N3O — CID 54904478

IUPACN-(2-cyanopropan-2-yl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC(C)(C)C#N)c2ccccc2n1
InChIInChI=1S/C15H15N3O/c1-10-8-12(14(19)18-15(2,3)9-16)11-6-4-5-7-13(11)17-10/h4-8H,1-3H3,(H,18,19)
InChIKeyULVBUHCYVBGQFB-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.58
Rot. Bonds2

About N-(2-cyanopropan-2-yl)-2-methylquinoline-4-carboxamide

N-(2-cyanopropan-2-yl)-2-methylquinoline-4-carboxamide (PubChem CID 54904478) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-2-methylquinoline-4-carboxamide
PubChem CID54904478
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC NameN-(2-cyanopropan-2-yl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC(C)(C)C#N)c2ccccc2n1
InChIInChI=1S/C15H15N3O/c1-10-8-12(14(19)18-15(2,3)9-16)11-6-4-5-7-13(11)17-10/h4-8H,1-3H3,(H,18,19)
InChIKeyULVBUHCYVBGQFB-UHFFFAOYSA-N
XLogP2.58
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-methylquinoline-4-carboxamide
CID 63193778
3-methyl-3-[(2-methylquinoline-4-carbonyl)amino]butanoic acid
CID 64672068
N-(2-cyanopropan-2-yl)quinoline-4-carboxamide
CID 113224905
N-(cyanomethyl)-2-methylquinoline-4-carboxamide
CID 51890088
N-(1-cyanoethyl)-2-methylquinoline-4-carboxamide
CID 61119261
N-[3-(bromomethyl)pentan-3-yl]-2-methylquinoline-4-carboxamide
CID 114315257
N-(2-cyanopropyl)-2-methylquinoline-4-carboxamide
CID 55101906
N-(2-chlorophenyl)-2-methylquinoline-4-carboxamide
CID 856039
N-(1-cyanobutyl)-2-methylquinoline-4-carboxamide
CID 60549944
N-(2-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide
CID 55613609
N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide
CID 38202874
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-methylquinoline-4-carboxamide
CID 61121065

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-2-methylquinoline-4-carboxamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-2-methylquinoline-4-carboxamide (CID 54904478) is N-(2-cyanopropan-2-yl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)NC(C)(C)C#N)c2ccccc2n1.
What is the InChIKey of N-(2-cyanopropan-2-yl)-2-methylquinoline-4-carboxamide?
The InChIKey is ULVBUHCYVBGQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10-8-12(14(19)18-15(2,3)9-16)11-6-4-5-7-13(11)17-10/h4-8H,1-3H3,(H,18,19).
What are the key properties of N-(2-cyanopropan-2-yl)-2-methylquinoline-4-carboxamide?
N-(2-cyanopropan-2-yl)-2-methylquinoline-4-carboxamide has a molecular weight of 253.31 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 54904478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).