N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-1H-indole-2-carboxamide

C26H23N3O2 — CID 93077064

IUPACN-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-1H-indole-2-carboxamide
SMILESO=C(N[C@H](C(=O)N1CCCc2ccccc21)c1ccccc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C26H23N3O2/c30-25(22-17-20-12-4-6-14-21(20)27-22)28-24(19-10-2-1-3-11-19)26(31)29-16-8-13-18-9-5-7-15-23(18)29/h1-7,9-12,14-15,17,24,27H,8,13,16H2,(H,28,30)/t24-/m0/s1
InChIKeyTWWNDDUBNOKWCR-DEOSSOPVSA-N
MW409.49 g/mol
LogP4.62
Rot. Bonds4

About N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-1H-indole-2-carboxamide

N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-1H-indole-2-carboxamide (PubChem CID 93077064) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-1H-indole-2-carboxamide
PubChem CID93077064
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC NameN-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-1H-indole-2-carboxamide
SMILESO=C(N[C@H](C(=O)N1CCCc2ccccc21)c1ccccc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C26H23N3O2/c30-25(22-17-20-12-4-6-14-21(20)27-22)28-24(19-10-2-1-3-11-19)26(31)29-16-8-13-18-9-5-7-15-23(18)29/h1-7,9-12,14-15,17,24,27H,8,13,16H2,(H,28,30)/t24-/m0/s1
InChIKeyTWWNDDUBNOKWCR-DEOSSOPVSA-N
XLogP4.62
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

5-bromo-N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]pyridine-3-carboxamide
CID 95092006
N-[(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-3-methoxybenzamide
CID 95091997
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide
CID 53125901
N-[2-[[(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide
CID 95091921
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2,4-dimethoxybenzamide
CID 53125902
N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-4-ethoxybenzamide
CID 95092000
N-(2-amino-1-phenylprop-2-enyl)-1H-indole-2-carboxamide
CID 70373696
1,3-bis(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpropane-1,3-dione
CID 3397137
N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3-fluorophenyl)acetamide
CID 95092008
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3-methoxyphenyl)acetamide
CID 53125928
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 53125923
N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 95091970

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-1H-indole-2-carboxamide (CID 93077064) is N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-1H-indole-2-carboxamide is O=C(N[C@H](C(=O)N1CCCc2ccccc21)c1ccccc1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-1H-indole-2-carboxamide?
The InChIKey is TWWNDDUBNOKWCR-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H23N3O2/c30-25(22-17-20-12-4-6-14-21(20)27-22)28-24(19-10-2-1-3-11-19)26(31)29-16-8-13-18-9-5-7-15-23(18)29/h1-7,9-12,14-15,17,24,27H,8,13,16H2,(H,28,30)/t24-/m0/s1.
What are the key properties of N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-1H-indole-2-carboxamide?
N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-1H-indole-2-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 93077064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).