N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-phenylacetamide

C25H23N3O — CID 68580895

IUPACN-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-phenylacetamide
SMILESN#Cc1ccc2c(c1)C[C@H](NC(=O)Cc1ccccc1)CN2Cc1ccccc1
InChIInChI=1S/C25H23N3O/c26-16-21-11-12-24-22(13-21)15-23(18-28(24)17-20-9-5-2-6-10-20)27-25(29)14-19-7-3-1-4-8-19/h1-13,23H,14-15,17-18H2,(H,27,29)/t23-/m0/s1
InChIKeyQQEPBJYZHJIHTH-QHCPKHFHSA-N
MW381.48 g/mol
LogP3.85
Rot. Bonds5

About N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-phenylacetamide

N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-phenylacetamide (PubChem CID 68580895) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-phenylacetamide
PubChem CID68580895
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC NameN-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-phenylacetamide
SMILESN#Cc1ccc2c(c1)C[C@H](NC(=O)Cc1ccccc1)CN2Cc1ccccc1
InChIInChI=1S/C25H23N3O/c26-16-21-11-12-24-22(13-21)15-23(18-28(24)17-20-9-5-2-6-10-20)27-25(29)14-19-7-3-1-4-8-19/h1-13,23H,14-15,17-18H2,(H,27,29)/t23-/m0/s1
InChIKeyQQEPBJYZHJIHTH-QHCPKHFHSA-N
XLogP3.85
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-phenylacetamide?
The IUPAC name of N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-phenylacetamide (CID 68580895) is N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-phenylacetamide is N#Cc1ccc2c(c1)C[C@H](NC(=O)Cc1ccccc1)CN2Cc1ccccc1.
What is the InChIKey of N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-phenylacetamide?
The InChIKey is QQEPBJYZHJIHTH-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H23N3O/c26-16-21-11-12-24-22(13-21)15-23(18-28(24)17-20-9-5-2-6-10-20)27-25(29)14-19-7-3-1-4-8-19/h1-13,23H,14-15,17-18H2,(H,27,29)/t23-/m0/s1.
What are the key properties of N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-phenylacetamide?
N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-phenylacetamide has a molecular weight of 381.48 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-phenylacetamide is sourced from PubChem (CID 68580895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).