N-[(2S,4S)-1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,2-diphenylacetamide

C29H26N2O3 — CID 29400498

IUPACN-[(2S,4S)-1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,2-diphenylacetamide
SMILESC[C@H]1C[C@H](N(C(=O)Cc2ccccc2)c2ccccc2)c2ccccc2N1C(=O)c1ccco1
InChIInChI=1S/C29H26N2O3/c1-21-19-26(24-15-8-9-16-25(24)30(21)29(33)27-17-10-18-34-27)31(23-13-6-3-7-14-23)28(32)20-22-11-4-2-5-12-22/h2-18,21,26H,19-20H2,1H3/t21-,26-/m0/s1
InChIKeyDGFHCQCEGVITGV-LVXARBLLSA-N
MW450.54 g/mol
LogP6.04
Rot. Bonds5

About N-[(2S,4S)-1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,2-diphenylacetamide

N-[(2S,4S)-1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,2-diphenylacetamide (PubChem CID 29400498) has the molecular formula C29H26N2O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[(2S,4S)-1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(2S,4S)-1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,2-diphenylacetamide
PubChem CID29400498
Molecular FormulaC29H26N2O3
Molecular Weight450.54 g/mol
Exact Mass450.19
IUPAC NameN-[(2S,4S)-1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,2-diphenylacetamide
SMILESC[C@H]1C[C@H](N(C(=O)Cc2ccccc2)c2ccccc2)c2ccccc2N1C(=O)c1ccco1
InChIInChI=1S/C29H26N2O3/c1-21-19-26(24-15-8-9-16-25(24)30(21)29(33)27-17-10-18-34-27)31(23-13-6-3-7-14-23)28(32)20-22-11-4-2-5-12-22/h2-18,21,26H,19-20H2,1H3/t21-,26-/m0/s1
InChIKeyDGFHCQCEGVITGV-LVXARBLLSA-N
XLogP6.04
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(2S,4S)-1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,2-diphenylacetamide with MolForge

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Related Compounds

N-[1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)acetamide
CID 58859938
N-[(2S,4R)-1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylacetamide
CID 41474589
N-(4-chlorophenyl)-N-[1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
CID 58859796
N-[(2S,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylfuran-2-carboxamide
CID 131726425
N-[2-methyl-1-(2-phenylacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 17067365
2-(4-fluorophenyl)-N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 1048862
3-(N-[(2S,4R)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]anilino)-3-oxopropanoic acid
CID 69427262
N-[1-[5-(4-chlorophenyl)furan-2-carbonyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 58859906
N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpropanamide
CID 3103979
N-[4-(furan-2-carbonyl)-5-methyl-6,7-dihydro-5H-thieno[3,2-b]pyridin-7-yl]-N-phenylacetamide
CID 11574452
N-[(2R,4S)-1-(4-bromobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 21093039
N-[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenyl-2-thiophen-2-ylacetamide
CID 40771805

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4S)-1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,2-diphenylacetamide?
The IUPAC name of N-[(2S,4S)-1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,2-diphenylacetamide (CID 29400498) is N-[(2S,4S)-1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,2-diphenylacetamide.
What is the SMILES notation for N-[(2S,4S)-1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,2-diphenylacetamide?
The canonical SMILES for N-[(2S,4S)-1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,2-diphenylacetamide is C[C@H]1C[C@H](N(C(=O)Cc2ccccc2)c2ccccc2)c2ccccc2N1C(=O)c1ccco1.
What is the InChIKey of N-[(2S,4S)-1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,2-diphenylacetamide?
The InChIKey is DGFHCQCEGVITGV-LVXARBLLSA-N. The full InChI is InChI=1S/C29H26N2O3/c1-21-19-26(24-15-8-9-16-25(24)30(21)29(33)27-17-10-18-34-27)31(23-13-6-3-7-14-23)28(32)20-22-11-4-2-5-12-22/h2-18,21,26H,19-20H2,1H3/t21-,26-/m0/s1.
What are the key properties of N-[(2S,4S)-1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,2-diphenylacetamide?
N-[(2S,4S)-1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,2-diphenylacetamide has a molecular weight of 450.54 g/mol, XLogP of 6.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4S)-1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,2-diphenylacetamide is sourced from PubChem (CID 29400498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).