1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethanone

C19H25N5O — CID 95612124

IUPAC1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethanone
SMILESCc1nc2n(n1)C[C@H](NCC(=O)N1c3ccccc3CC[C@H]1C)CC2
InChIInChI=1S/C19H25N5O/c1-13-7-8-15-5-3-4-6-17(15)24(13)19(25)11-20-16-9-10-18-21-14(2)22-23(18)12-16/h3-6,13,16,20H,7-12H2,1-2H3/t13-,16-/m1/s1
InChIKeyCIBNNONSLLHSDZ-CZUORRHYSA-N
MW339.44 g/mol
LogP1.86
Rot. Bonds3

About 1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethanone

1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethanone (PubChem CID 95612124) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethanone
PubChem CID95612124
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethanone
SMILESCc1nc2n(n1)C[C@H](NCC(=O)N1c3ccccc3CC[C@H]1C)CC2
InChIInChI=1S/C19H25N5O/c1-13-7-8-15-5-3-4-6-17(15)24(13)19(25)11-20-16-9-10-18-21-14(2)22-23(18)12-16/h3-6,13,16,20H,7-12H2,1-2H3/t13-,16-/m1/s1
InChIKeyCIBNNONSLLHSDZ-CZUORRHYSA-N
XLogP1.86
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethanone with MolForge

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Related Compounds

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CID 56781313
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CID 55627224

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethanone?
The IUPAC name of 1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethanone (CID 95612124) is 1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethanone.
What is the SMILES notation for 1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethanone?
The canonical SMILES for 1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethanone is Cc1nc2n(n1)C[C@H](NCC(=O)N1c3ccccc3CC[C@H]1C)CC2.
What is the InChIKey of 1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethanone?
The InChIKey is CIBNNONSLLHSDZ-CZUORRHYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-13-7-8-15-5-3-4-6-17(15)24(13)19(25)11-20-16-9-10-18-21-14(2)22-23(18)12-16/h3-6,13,16,20H,7-12H2,1-2H3/t13-,16-/m1/s1.
What are the key properties of 1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethanone?
1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethanone has a molecular weight of 339.44 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethanone is sourced from PubChem (CID 95612124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).