3-methyl-N-prop-2-ynyl-3,4-dihydro-2H-quinoline-1-carboxamide

C14H16N2O — CID 86768829

IUPAC3-methyl-N-prop-2-ynyl-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESC#CCNC(=O)N1CC(C)Cc2ccccc21
InChIInChI=1S/C14H16N2O/c1-3-8-15-14(17)16-10-11(2)9-12-6-4-5-7-13(12)16/h1,4-7,11H,8-10H2,2H3,(H,15,17)
InChIKeyCKEXAPBHZBJBOO-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.03
Rot. Bonds1

About 3-methyl-N-prop-2-ynyl-3,4-dihydro-2H-quinoline-1-carboxamide

3-methyl-N-prop-2-ynyl-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 86768829) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-methyl-N-prop-2-ynyl-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-prop-2-ynyl-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID86768829
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name3-methyl-N-prop-2-ynyl-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESC#CCNC(=O)N1CC(C)Cc2ccccc21
InChIInChI=1S/C14H16N2O/c1-3-8-15-14(17)16-10-11(2)9-12-6-4-5-7-13(12)16/h1,4-7,11H,8-10H2,2H3,(H,15,17)
InChIKeyCKEXAPBHZBJBOO-UHFFFAOYSA-N
XLogP2.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-4-[(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid
CID 107839949
N-tert-butyl-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110662911
(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
N-(2-chloropropanoyl)-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 63548864
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
1-[(2-methylcyclopropyl)methylcarbamoyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902875
2-methyl-2-(methylamino)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 55195653
2-anilino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;hydrochloride
CID 119776726
3-(dimethylamino)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)prop-2-yn-1-one
CID 166787642
(2-aminophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63401608

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-prop-2-ynyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of 3-methyl-N-prop-2-ynyl-3,4-dihydro-2H-quinoline-1-carboxamide (CID 86768829) is 3-methyl-N-prop-2-ynyl-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for 3-methyl-N-prop-2-ynyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for 3-methyl-N-prop-2-ynyl-3,4-dihydro-2H-quinoline-1-carboxamide is C#CCNC(=O)N1CC(C)Cc2ccccc21.
What is the InChIKey of 3-methyl-N-prop-2-ynyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is CKEXAPBHZBJBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-3-8-15-14(17)16-10-11(2)9-12-6-4-5-7-13(12)16/h1,4-7,11H,8-10H2,2H3,(H,15,17).
What are the key properties of 3-methyl-N-prop-2-ynyl-3,4-dihydro-2H-quinoline-1-carboxamide?
3-methyl-N-prop-2-ynyl-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 228.30 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-prop-2-ynyl-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 86768829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).