N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide

C22H23N5O2 — CID 166192642

IUPACN-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1)n1cncn1
InChIInChI=1S/C22H23N5O2/c1-16(27-15-23-14-24-27)22(29)25-19-10-8-17(9-11-19)13-21(28)26-12-4-6-18-5-2-3-7-20(18)26/h2-3,5,7-11,14-16H,4,6,12-13H2,1H3,(H,25,29)
InChIKeyFGIWYWNTOGSMLH-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.00
Rot. Bonds5

About N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide

N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 166192642) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID166192642
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1)n1cncn1
InChIInChI=1S/C22H23N5O2/c1-16(27-15-23-14-24-27)22(29)25-19-10-8-17(9-11-19)13-21(28)26-12-4-6-18-5-2-3-7-20(18)26/h2-3,5,7-11,14-16H,4,6,12-13H2,1H3,(H,25,29)
InChIKeyFGIWYWNTOGSMLH-UHFFFAOYSA-N
XLogP3.00
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-4-methylpentanamide
CID 119763740
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338653
1-amino-N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide
CID 119763704
1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-3-(2-methylpropyl)urea
CID 60613753
N-[4-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 55679793
ethyl 4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]anilino]-2,3-dihydroxy-4-oxobutanoate
CID 167784622
(2S)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-imidazol-1-ylpropanamide
CID 94669996
(2R)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 32592112
(2R)-N-[4-[[2-(4-pyrazol-1-ylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 51948969
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 669074
N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 46403224
3,3-dimethyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide
CID 46403524

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 166192642) is N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1)n1cncn1.
What is the InChIKey of N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is FGIWYWNTOGSMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-16(27-15-23-14-24-27)22(29)25-19-10-8-17(9-11-19)13-21(28)26-12-4-6-18-5-2-3-7-20(18)26/h2-3,5,7-11,14-16H,4,6,12-13H2,1H3,(H,25,29).
What are the key properties of N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 389.46 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 166192642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).