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

C21H27N3O — CID 129081588

IUPAC1-[(3R)-2,3-diethyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCCC1[C@H](CC)C(Nc2cccc(C)n2)c2ccccc2N1C(C)=O
InChIInChI=1S/C21H27N3O/c1-5-16-18(6-2)24(15(4)25)19-12-8-7-11-17(19)21(16)23-20-13-9-10-14(3)22-20/h7-13,16,18,21H,5-6H2,1-4H3,(H,22,23)/t16-,18?,21?/m0/s1
InChIKeyKGKCLBZJKHMMII-AFJQURTJSA-N
MW337.47 g/mol
LogP4.71
Rot. Bonds4

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

1-[(3R)-2,3-diethyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 129081588) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 1-[(3R)-2,3-diethyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-2,3-diethyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID129081588
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name1-[(3R)-2,3-diethyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCCC1[C@H](CC)C(Nc2cccc(C)n2)c2ccccc2N1C(C)=O
InChIInChI=1S/C21H27N3O/c1-5-16-18(6-2)24(15(4)25)19-12-8-7-11-17(19)21(16)23-20-13-9-10-14(3)22-20/h7-13,16,18,21H,5-6H2,1-4H3,(H,22,23)/t16-,18?,21?/m0/s1
InChIKeyKGKCLBZJKHMMII-AFJQURTJSA-N
XLogP4.71
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-2,3-diethyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-2,3-diethyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 129081588) is 1-[(3R)-2,3-diethyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-2,3-diethyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-2,3-diethyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone is CCC1[C@H](CC)C(Nc2cccc(C)n2)c2ccccc2N1C(C)=O.
What is the InChIKey of 1-[(3R)-2,3-diethyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is KGKCLBZJKHMMII-AFJQURTJSA-N. The full InChI is InChI=1S/C21H27N3O/c1-5-16-18(6-2)24(15(4)25)19-12-8-7-11-17(19)21(16)23-20-13-9-10-14(3)22-20/h7-13,16,18,21H,5-6H2,1-4H3,(H,22,23)/t16-,18?,21?/m0/s1.
What are the key properties of 1-[(3R)-2,3-diethyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[(3R)-2,3-diethyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 337.47 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-2,3-diethyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 129081588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).