N-[(1S)-1,2-diphenylethyl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide

C26H26N2O2 — CID 26004613

IUPACN-[(1S)-1,2-diphenylethyl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
SMILESO=C(CC[C@H]1Cc2ccccc2NC1=O)N[C@@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C26H26N2O2/c29-25(16-15-22-18-21-13-7-8-14-23(21)28-26(22)30)27-24(20-11-5-2-6-12-20)17-19-9-3-1-4-10-19/h1-14,22,24H,15-18H2,(H,27,29)(H,28,30)/t22-,24-/m0/s1
InChIKeyBNQTTXZKRYADEE-UPVQGACJSA-N
MW398.51 g/mol
LogP4.68
Rot. Bonds7

About N-[(1S)-1,2-diphenylethyl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide

N-[(1S)-1,2-diphenylethyl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide (PubChem CID 26004613) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[(1S)-1,2-diphenylethyl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(1S)-1,2-diphenylethyl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
PubChem CID26004613
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC NameN-[(1S)-1,2-diphenylethyl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
SMILESO=C(CC[C@H]1Cc2ccccc2NC1=O)N[C@@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C26H26N2O2/c29-25(16-15-22-18-21-13-7-8-14-23(21)28-26(22)30)27-24(20-11-5-2-6-12-20)17-19-9-3-1-4-10-19/h1-14,22,24H,15-18H2,(H,27,29)(H,28,30)/t22-,24-/m0/s1
InChIKeyBNQTTXZKRYADEE-UPVQGACJSA-N
XLogP4.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1,2-diphenylethyl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?
The IUPAC name of N-[(1S)-1,2-diphenylethyl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide (CID 26004613) is N-[(1S)-1,2-diphenylethyl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide.
What is the SMILES notation for N-[(1S)-1,2-diphenylethyl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?
The canonical SMILES for N-[(1S)-1,2-diphenylethyl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide is O=C(CC[C@H]1Cc2ccccc2NC1=O)N[C@@H](Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S)-1,2-diphenylethyl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?
The InChIKey is BNQTTXZKRYADEE-UPVQGACJSA-N. The full InChI is InChI=1S/C26H26N2O2/c29-25(16-15-22-18-21-13-7-8-14-23(21)28-26(22)30)27-24(20-11-5-2-6-12-20)17-19-9-3-1-4-10-19/h1-14,22,24H,15-18H2,(H,27,29)(H,28,30)/t22-,24-/m0/s1.
What are the key properties of N-[(1S)-1,2-diphenylethyl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?
N-[(1S)-1,2-diphenylethyl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide has a molecular weight of 398.51 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1,2-diphenylethyl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide is sourced from PubChem (CID 26004613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).