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

C19H25N5O — CID 96568264

IUPACN-(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
SMILESC[C@H]1CCc2ccccc2N1CCC(=O)NCc1nnc2n1CCC2
InChIInChI=1S/C19H25N5O/c1-14-8-9-15-5-2-3-6-16(15)23(14)12-10-19(25)20-13-18-22-21-17-7-4-11-24(17)18/h2-3,5-6,14H,4,7-13H2,1H3,(H,20,25)/t14-/m0/s1
InChIKeyXRIWDOGCSHNZJS-AWEZNQCLSA-N
MW339.44 g/mol
LogP2.07
Rot. Bonds5

About 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

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 (PubChem CID 96568264) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID96568264
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-(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
SMILESC[C@H]1CCc2ccccc2N1CCC(=O)NCc1nnc2n1CCC2
InChIInChI=1S/C19H25N5O/c1-14-8-9-15-5-2-3-6-16(15)23(14)12-10-19(25)20-13-18-22-21-17-7-4-11-24(17)18/h2-3,5-6,14H,4,7-13H2,1H3,(H,20,25)/t14-/m0/s1
InChIKeyXRIWDOGCSHNZJS-AWEZNQCLSA-N
XLogP2.07
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide
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CID 94021346
3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide
CID 71984950
N-(2-aminophenyl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide;dihydrochloride
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CID 95299077
N,N-diethyl-4-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoylamino]benzamide
CID 95781097
1-[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 125147410
1-(4-aminopiperidin-1-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
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2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylethanone
CID 162353371
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)propanamide
CID 46524856

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@H]1CCc2ccccc2N1CCC(=O)NCc1nnc2n1CCC2.
What is the InChIKey of 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?
The InChIKey is XRIWDOGCSHNZJS-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25N5O/c1-14-8-9-15-5-2-3-6-16(15)23(14)12-10-19(25)20-13-18-22-21-17-7-4-11-24(17)18/h2-3,5-6,14H,4,7-13H2,1H3,(H,20,25)/t14-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 339.44 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 96568264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).