N-[(2R,4R)-1-benzoyl-6-chloro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

C25H23ClN2O2 — CID 40721142

IUPACN-[(2R,4R)-1-benzoyl-6-chloro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(=O)c2ccccc2)c2ccc(Cl)cc21
InChIInChI=1S/C25H23ClN2O2/c1-17-15-24(28(18(2)29)21-11-7-4-8-12-21)22-16-20(26)13-14-23(22)27(17)25(30)19-9-5-3-6-10-19/h3-14,16-17,24H,15H2,1-2H3/t17-,24-/m1/s1
InChIKeyCGHQAUIDGCNQMP-MZNJEOGPSA-N
MW418.92 g/mol
LogP5.87
Rot. Bonds3

About N-[(2R,4R)-1-benzoyl-6-chloro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

N-[(2R,4R)-1-benzoyl-6-chloro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (PubChem CID 40721142) has the molecular formula C25H23ClN2O2 and a molecular weight of 418.92 g/mol. Its IUPAC name is N-[(2R,4R)-1-benzoyl-6-chloro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[(2R,4R)-1-benzoyl-6-chloro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
PubChem CID40721142
Molecular FormulaC25H23ClN2O2
Molecular Weight418.92 g/mol
Exact Mass418.14
IUPAC NameN-[(2R,4R)-1-benzoyl-6-chloro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(=O)c2ccccc2)c2ccc(Cl)cc21
InChIInChI=1S/C25H23ClN2O2/c1-17-15-24(28(18(2)29)21-11-7-4-8-12-21)22-16-20(26)13-14-23(22)27(17)25(30)19-9-5-3-6-10-19/h3-14,16-17,24H,15H2,1-2H3/t17-,24-/m1/s1
InChIKeyCGHQAUIDGCNQMP-MZNJEOGPSA-N
XLogP5.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.92
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(2R,4R)-1-benzoyl-6-chloro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide with MolForge

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Related Compounds

N-[(2R,4S)-1-benzoyl-6-chloro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 40721140
N-[(2S,4R)-1-benzoyl-7-chloro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 69428809
N-[(2S,4R)-1-acetyl-6-chloro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 7316015
N-[(2S,4R)-1-benzoyl-6-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 69430884
N-[(2R,4S)-6-chloro-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-chlorophenyl)acetamide
CID 21093186
N-[1-(3,4-difluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 58859677
N-[(2S,4R)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-hydroxyphenyl)acetamide
CID 69427096
N-(4-chlorophenyl)-N-[1-(4-iodobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
CID 76613782
N-[(2R,4S)-2-methyl-1-(1-oxidopyridin-1-ium-4-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 21100551
N-[(2S,4S)-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 7097678
N-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-(3-methoxyphenyl)acetamide
CID 19576143
3-[[4-[4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]methyl]benzoic acid
CID 68921381

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R)-1-benzoyl-6-chloro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The IUPAC name of N-[(2R,4R)-1-benzoyl-6-chloro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (CID 40721142) is N-[(2R,4R)-1-benzoyl-6-chloro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.
What is the SMILES notation for N-[(2R,4R)-1-benzoyl-6-chloro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The canonical SMILES for N-[(2R,4R)-1-benzoyl-6-chloro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is CC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(=O)c2ccccc2)c2ccc(Cl)cc21.
What is the InChIKey of N-[(2R,4R)-1-benzoyl-6-chloro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The InChIKey is CGHQAUIDGCNQMP-MZNJEOGPSA-N. The full InChI is InChI=1S/C25H23ClN2O2/c1-17-15-24(28(18(2)29)21-11-7-4-8-12-21)22-16-20(26)13-14-23(22)27(17)25(30)19-9-5-3-6-10-19/h3-14,16-17,24H,15H2,1-2H3/t17-,24-/m1/s1.
What are the key properties of N-[(2R,4R)-1-benzoyl-6-chloro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
N-[(2R,4R)-1-benzoyl-6-chloro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide has a molecular weight of 418.92 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R)-1-benzoyl-6-chloro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 40721142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).