N-benzyl-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide

C20H24N2O — CID 108990709

IUPACN-benzyl-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C20H24N2O/c1-16(2)22(15-17-9-4-3-5-10-17)20(23)21-14-8-12-18-11-6-7-13-19(18)21/h3-7,9-11,13,16H,8,12,14-15H2,1-2H3
InChIKeyCAEQQQVGURJSIZ-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.47
Rot. Bonds3

About N-benzyl-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide

N-benzyl-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 108990709) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-benzyl-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID108990709
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-benzyl-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C20H24N2O/c1-16(2)22(15-17-9-4-3-5-10-17)20(23)21-14-8-12-18-11-6-7-13-19(18)21/h3-7,9-11,13,16H,8,12,14-15H2,1-2H3
InChIKeyCAEQQQVGURJSIZ-UHFFFAOYSA-N
XLogP4.47
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one
CID 24710591
2-[tert-butyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]acetic acid
CID 79263741
2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 3271608
N-benzyl-N-phenyl-2,3-dihydroindole-1-carboxamide
CID 108991209
N-benzyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 8004672
[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]carbamic acid
CID 70362593
4-[3,4-dihydro-2H-quinoline-1-carbonyl(methyl)amino]butanoic acid
CID 43329794
1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenoxypropan-1-one
CID 2904377
1,3-bis(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpropane-1,3-dione
CID 3397137
2-(3,4-dihydro-2H-quinoline-1-carbonyl)-3,3-dimethylbutanoic acid
CID 116536652
2,3-dimethyl-4-oxo-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)butanoic acid
CID 103498667
2-[butan-2-yl(2,3-dihydroindole-1-carbonyl)amino]acetic acid
CID 61189508

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-benzyl-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide (CID 108990709) is N-benzyl-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-benzyl-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-benzyl-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide is CC(C)N(Cc1ccccc1)C(=O)N1CCCc2ccccc21.
What is the InChIKey of N-benzyl-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is CAEQQQVGURJSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-16(2)22(15-17-9-4-3-5-10-17)20(23)21-14-8-12-18-11-6-7-13-19(18)21/h3-7,9-11,13,16H,8,12,14-15H2,1-2H3.
What are the key properties of N-benzyl-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide?
N-benzyl-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 108990709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).