1-[(2S,4R)-6-[1-(2-hydroxyethyl)triazol-4-yl]-2-methyl-4-[(4-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone

C22H26N6O2 — CID 52936010

IUPAC1-[(2S,4R)-6-[1-(2-hydroxyethyl)triazol-4-yl]-2-methyl-4-[(4-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(-c3cn(CCO)nn3)cc2[C@H](Nc2cc(C)ccn2)C[C@@H]1C
InChIInChI=1S/C22H26N6O2/c1-14-6-7-23-22(10-14)24-19-11-15(2)28(16(3)30)21-5-4-17(12-18(19)21)20-13-27(8-9-29)26-25-20/h4-7,10,12-13,15,19,29H,8-9,11H2,1-3H3,(H,23,24)/t15-,19+/m0/s1
InChIKeyHIKJEYPUVIOESF-HNAYVOBHSA-N
MW406.49 g/mol
LogP2.94
Rot. Bonds5

About 1-[(2S,4R)-6-[1-(2-hydroxyethyl)triazol-4-yl]-2-methyl-4-[(4-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[(2S,4R)-6-[1-(2-hydroxyethyl)triazol-4-yl]-2-methyl-4-[(4-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 52936010) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-[(2S,4R)-6-[1-(2-hydroxyethyl)triazol-4-yl]-2-methyl-4-[(4-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,4R)-6-[1-(2-hydroxyethyl)triazol-4-yl]-2-methyl-4-[(4-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID52936010
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name1-[(2S,4R)-6-[1-(2-hydroxyethyl)triazol-4-yl]-2-methyl-4-[(4-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(-c3cn(CCO)nn3)cc2[C@H](Nc2cc(C)ccn2)C[C@@H]1C
InChIInChI=1S/C22H26N6O2/c1-14-6-7-23-22(10-14)24-19-11-15(2)28(16(3)30)21-5-4-17(12-18(19)21)20-13-27(8-9-29)26-25-20/h4-7,10,12-13,15,19,29H,8-9,11H2,1-3H3,(H,23,24)/t15-,19+/m0/s1
InChIKeyHIKJEYPUVIOESF-HNAYVOBHSA-N
XLogP2.94
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[(2S,4R)-6-[1-(2-hydroxyethyl)triazol-4-yl]-2-methyl-4-[(4-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-6-[1-(2-hydroxyethyl)triazol-4-yl]-2-methyl-4-[(4-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[(2S,4R)-6-[1-(2-hydroxyethyl)triazol-4-yl]-2-methyl-4-[(4-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 52936010) is 1-[(2S,4R)-6-[1-(2-hydroxyethyl)triazol-4-yl]-2-methyl-4-[(4-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S,4R)-6-[1-(2-hydroxyethyl)triazol-4-yl]-2-methyl-4-[(4-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[(2S,4R)-6-[1-(2-hydroxyethyl)triazol-4-yl]-2-methyl-4-[(4-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1c2ccc(-c3cn(CCO)nn3)cc2[C@H](Nc2cc(C)ccn2)C[C@@H]1C.
What is the InChIKey of 1-[(2S,4R)-6-[1-(2-hydroxyethyl)triazol-4-yl]-2-methyl-4-[(4-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is HIKJEYPUVIOESF-HNAYVOBHSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-14-6-7-23-22(10-14)24-19-11-15(2)28(16(3)30)21-5-4-17(12-18(19)21)20-13-27(8-9-29)26-25-20/h4-7,10,12-13,15,19,29H,8-9,11H2,1-3H3,(H,23,24)/t15-,19+/m0/s1.
What are the key properties of 1-[(2S,4R)-6-[1-(2-hydroxyethyl)triazol-4-yl]-2-methyl-4-[(4-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[(2S,4R)-6-[1-(2-hydroxyethyl)triazol-4-yl]-2-methyl-4-[(4-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 406.49 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R)-6-[1-(2-hydroxyethyl)triazol-4-yl]-2-methyl-4-[(4-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 52936010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).