N-tert-butyl-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide

C15H22N2O — CID 110662911

IUPACN-tert-butyl-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCC1Cc2ccccc2N(C(=O)NC(C)(C)C)C1
InChIInChI=1S/C15H22N2O/c1-11-9-12-7-5-6-8-13(12)17(10-11)14(18)16-15(2,3)4/h5-8,11H,9-10H2,1-4H3,(H,16,18)
InChIKeyMAQLIPALXLABLM-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.19
Rot. Bonds

About N-tert-butyl-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide

N-tert-butyl-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 110662911) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-tert-butyl-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID110662911
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-tert-butyl-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCC1Cc2ccccc2N(C(=O)NC(C)(C)C)C1
InChIInChI=1S/C15H22N2O/c1-11-9-12-7-5-6-8-13(12)17(10-11)14(18)16-15(2,3)4/h5-8,11H,9-10H2,1-4H3,(H,16,18)
InChIKeyMAQLIPALXLABLM-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-2-(methylamino)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 55195653
3-methyl-N-prop-2-ynyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 86768829
N-(2-chloropropanoyl)-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 63548864
(2R)-2-amino-3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 103929918
2-anilino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;hydrochloride
CID 119776726
2-amino-2-cyclopropyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 55196224
2-hydroxy-4-[(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid
CID 107839949
(2R)-4-hydroxy-2-[(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid
CID 107827789
2-(methylamino)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63522299
3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63466515
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-yn-1-one
CID 166787570
(2R)-2-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one;hydrochloride
CID 119319569

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-tert-butyl-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide (CID 110662911) is N-tert-butyl-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-tert-butyl-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-tert-butyl-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide is CC1Cc2ccccc2N(C(=O)NC(C)(C)C)C1.
What is the InChIKey of N-tert-butyl-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is MAQLIPALXLABLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-9-12-7-5-6-8-13(12)17(10-11)14(18)16-15(2,3)4/h5-8,11H,9-10H2,1-4H3,(H,16,18).
What are the key properties of N-tert-butyl-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide?
N-tert-butyl-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 3.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 110662911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).