N,2-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide

C16H20N2O — CID 134005837

IUPACN,2-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)N(C)CC(C)C)c2ccccc2n1
InChIInChI=1S/C16H20N2O/c1-11(2)10-18(4)16(19)14-9-12(3)17-15-8-6-5-7-13(14)15/h5-9,11H,10H2,1-4H3
InChIKeyCINIFUUXPIGZRY-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.27
Rot. Bonds3

About N,2-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide

N,2-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide (PubChem CID 134005837) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N,2-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide
PubChem CID134005837
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN,2-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)N(C)CC(C)C)c2ccccc2n1
InChIInChI=1S/C16H20N2O/c1-11(2)10-18(4)16(19)14-9-12(3)17-15-8-6-5-7-13(14)15/h5-9,11H,10H2,1-4H3
InChIKeyCINIFUUXPIGZRY-UHFFFAOYSA-N
XLogP3.27
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,2,6-trimethyl-N-(2-methylpropyl)quinoline-4-carboxamide
CID 134005859
3-methyl-1-(2-methylquinolin-4-yl)butan-1-one
CID 105077594
N-(3-aminopropyl)-2-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 43319257
2-amino-N-methyl-N-(3-methylbutyl)quinoline-4-carboxamide
CID 62185839
N-[(3-bromocyclobutyl)methyl]-N,2-dimethylquinoline-4-carboxamide
CID 80676660
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylquinoline-4-carboxamide
CID 32520142
2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide
CID 4877911
N,2-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide
CID 71985757
N-methyl-N-(2-methylpropyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide
CID 46090914
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylquinoline-4-carboxamide
CID 51098155
N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide
CID 24529352
N-(2-cyanopropyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide
CID 62181387

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide?
The IUPAC name of N,2-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide (CID 134005837) is N,2-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide?
The canonical SMILES for N,2-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide is Cc1cc(C(=O)N(C)CC(C)C)c2ccccc2n1.
What is the InChIKey of N,2-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide?
The InChIKey is CINIFUUXPIGZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11(2)10-18(4)16(19)14-9-12(3)17-15-8-6-5-7-13(14)15/h5-9,11H,10H2,1-4H3.
What are the key properties of N,2-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide?
N,2-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 134005837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).