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

C23H27N5O — CID 126783506

IUPAC3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide
SMILESCC1CCc2ccccc2N1CCC(=O)NCc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C23H27N5O/c1-18-6-11-21-4-2-3-5-22(21)28(18)13-12-23(29)25-14-19-7-9-20(10-8-19)15-27-17-24-16-26-27/h2-5,7-10,16-18H,6,11-15H2,1H3,(H,25,29)
InChIKeyLYXIZVWOKKGCPR-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.17
Rot. Bonds7

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

3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide (PubChem CID 126783506) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide
PubChem CID126783506
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide
SMILESCC1CCc2ccccc2N1CCC(=O)NCc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C23H27N5O/c1-18-6-11-21-4-2-3-5-22(21)28(18)13-12-23(29)25-14-19-7-9-20(10-8-19)15-27-17-24-16-26-27/h2-5,7-10,16-18H,6,11-15H2,1H3,(H,25,29)
InChIKeyLYXIZVWOKKGCPR-UHFFFAOYSA-N
XLogP3.17
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide
CID 71984950
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide
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3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
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N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanamide
CID 96568264
3-(2-oxo-1,3-thiazolidin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide
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4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenol
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N,N-diethyl-4-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoylamino]benzamide
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N-(2-aminophenyl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide;dihydrochloride
CID 119422356
N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide (CID 126783506) is 3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide is CC1CCc2ccccc2N1CCC(=O)NCc1ccc(Cn2cncn2)cc1.
What is the InChIKey of 3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide?
The InChIKey is LYXIZVWOKKGCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-18-6-11-21-4-2-3-5-22(21)28(18)13-12-23(29)25-14-19-7-9-20(10-8-19)15-27-17-24-16-26-27/h2-5,7-10,16-18H,6,11-15H2,1H3,(H,25,29).
What are the key properties of 3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide?
3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide has a molecular weight of 389.50 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 126783506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).