(2R,3S)-2,3-diphenyl-N-quinolin-8-ylbutanamide

C25H22N2O — CID 132555346

IUPAC(2R,3S)-2,3-diphenyl-N-quinolin-8-ylbutanamide
SMILESC[C@H](c1ccccc1)[C@@H](C(=O)Nc1cccc2cccnc12)c1ccccc1
InChIInChI=1S/C25H22N2O/c1-18(19-10-4-2-5-11-19)23(20-12-6-3-7-13-20)25(28)27-22-16-8-14-21-15-9-17-26-24(21)22/h2-18,23H,1H3,(H,27,28)/t18-,23-/m1/s1
InChIKeyIZVDWHXPFPGANI-WZONZLPQSA-N
MW366.46 g/mol
LogP5.76
Rot. Bonds5

About (2R,3S)-2,3-diphenyl-N-quinolin-8-ylbutanamide

(2R,3S)-2,3-diphenyl-N-quinolin-8-ylbutanamide (PubChem CID 132555346) has the molecular formula C25H22N2O and a molecular weight of 366.46 g/mol. Its IUPAC name is (2R,3S)-2,3-diphenyl-N-quinolin-8-ylbutanamide.

Molecular Properties

Compound Name(2R,3S)-2,3-diphenyl-N-quinolin-8-ylbutanamide
PubChem CID132555346
Molecular FormulaC25H22N2O
Molecular Weight366.46 g/mol
Exact Mass366.17
IUPAC Name(2R,3S)-2,3-diphenyl-N-quinolin-8-ylbutanamide
SMILESC[C@H](c1ccccc1)[C@@H](C(=O)Nc1cccc2cccnc12)c1ccccc1
InChIInChI=1S/C25H22N2O/c1-18(19-10-4-2-5-11-19)23(20-12-6-3-7-13-20)25(28)27-22-16-8-14-21-15-9-17-26-24(21)22/h2-18,23H,1H3,(H,27,28)/t18-,23-/m1/s1
InChIKeyIZVDWHXPFPGANI-WZONZLPQSA-N
XLogP5.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(4-bromophenyl)-2-[(1S)-1-(4-bromophenyl)ethyl]-N-quinolin-8-ylbutanamide
CID 132555355
(2S)-2-amino-3-methyl-N-quinolin-8-ylbutanamide
CID 22690765
(2S)-2-(dimethylamino)-N-quinolin-8-ylpropanamide
CID 59003766
(2S)-3-methyl-2-(phenylcarbamoylamino)-N-quinolin-8-ylbutanamide
CID 9107572
2-methyl-5-phenyl-N-quinolin-8-ylpentanamide
CID 175900489
1-[(1S)-2-methylsulfonyl-1-phenylethyl]-3-quinolin-8-ylurea
CID 97000980
1-(2-hydroxypropyl)-3-quinolin-8-ylurea
CID 47032842
2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-quinolin-8-ylpropanediamide
CID 108968465
(2R)-2-amino-N-quinolin-8-ylpentanamide
CID 103813268
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-quinolin-8-ylbutanamide
CID 76925148
(3R)-3-methyl-4-phenyl-N-quinolin-8-ylbutanamide
CID 122231949
ethyl (3R)-3-phenyl-3-(quinolin-8-ylcarbamoylamino)propanoate
CID 95288023

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3-diphenyl-N-quinolin-8-ylbutanamide?
The IUPAC name of (2R,3S)-2,3-diphenyl-N-quinolin-8-ylbutanamide (CID 132555346) is (2R,3S)-2,3-diphenyl-N-quinolin-8-ylbutanamide.
What is the SMILES notation for (2R,3S)-2,3-diphenyl-N-quinolin-8-ylbutanamide?
The canonical SMILES for (2R,3S)-2,3-diphenyl-N-quinolin-8-ylbutanamide is C[C@H](c1ccccc1)[C@@H](C(=O)Nc1cccc2cccnc12)c1ccccc1.
What is the InChIKey of (2R,3S)-2,3-diphenyl-N-quinolin-8-ylbutanamide?
The InChIKey is IZVDWHXPFPGANI-WZONZLPQSA-N. The full InChI is InChI=1S/C25H22N2O/c1-18(19-10-4-2-5-11-19)23(20-12-6-3-7-13-20)25(28)27-22-16-8-14-21-15-9-17-26-24(21)22/h2-18,23H,1H3,(H,27,28)/t18-,23-/m1/s1.
What are the key properties of (2R,3S)-2,3-diphenyl-N-quinolin-8-ylbutanamide?
(2R,3S)-2,3-diphenyl-N-quinolin-8-ylbutanamide has a molecular weight of 366.46 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3-diphenyl-N-quinolin-8-ylbutanamide is sourced from PubChem (CID 132555346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).