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

C21H24N6O2 — CID 123399548

IUPAC1-[6-[1-(2-hydroxyethyl)triazol-4-yl]-4-[(4-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2cc(C)ccn2)c2cc(-c3cn(CCO)nn3)ccc21
InChIInChI=1S/C21H24N6O2/c1-14-5-7-22-21(11-14)23-18-6-8-27(15(2)29)20-4-3-16(12-17(18)20)19-13-26(9-10-28)25-24-19/h3-5,7,11-13,18,28H,6,8-10H2,1-2H3,(H,22,23)
InChIKeyRSABROMUGXFTCY-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.55
Rot. Bonds5

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

1-[6-[1-(2-hydroxyethyl)triazol-4-yl]-4-[(4-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 123399548) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-[6-[1-(2-hydroxyethyl)triazol-4-yl]-4-[(4-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-[1-(2-hydroxyethyl)triazol-4-yl]-4-[(4-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID123399548
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name1-[6-[1-(2-hydroxyethyl)triazol-4-yl]-4-[(4-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2cc(C)ccn2)c2cc(-c3cn(CCO)nn3)ccc21
InChIInChI=1S/C21H24N6O2/c1-14-5-7-22-21(11-14)23-18-6-8-27(15(2)29)20-4-3-16(12-17(18)20)19-13-26(9-10-28)25-24-19/h3-5,7,11-13,18,28H,6,8-10H2,1-2H3,(H,22,23)
InChIKeyRSABROMUGXFTCY-UHFFFAOYSA-N
XLogP2.55
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[1-(2-hydroxyethyl)triazol-4-yl]-4-[(4-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[6-[1-(2-hydroxyethyl)triazol-4-yl]-4-[(4-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 123399548) is 1-[6-[1-(2-hydroxyethyl)triazol-4-yl]-4-[(4-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[6-[1-(2-hydroxyethyl)triazol-4-yl]-4-[(4-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[6-[1-(2-hydroxyethyl)triazol-4-yl]-4-[(4-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1CCC(Nc2cc(C)ccn2)c2cc(-c3cn(CCO)nn3)ccc21.
What is the InChIKey of 1-[6-[1-(2-hydroxyethyl)triazol-4-yl]-4-[(4-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is RSABROMUGXFTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-14-5-7-22-21(11-14)23-18-6-8-27(15(2)29)20-4-3-16(12-17(18)20)19-13-26(9-10-28)25-24-19/h3-5,7,11-13,18,28H,6,8-10H2,1-2H3,(H,22,23).
What are the key properties of 1-[6-[1-(2-hydroxyethyl)triazol-4-yl]-4-[(4-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[6-[1-(2-hydroxyethyl)triazol-4-yl]-4-[(4-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 392.46 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[1-(2-hydroxyethyl)triazol-4-yl]-4-[(4-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 123399548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).