1-[(2R)-2-methyl-4-(4-methyl-3-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one

C24H28N4O — CID 162666311

IUPAC1-[(2R)-2-methyl-4-(4-methyl-3-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one
SMILESCc1ccncc1N1CCN(C(=O)CCCc2cccc3ncccc23)[C@H](C)C1
InChIInChI=1S/C24H28N4O/c1-18-11-13-25-16-23(18)27-14-15-28(19(2)17-27)24(29)10-4-7-20-6-3-9-22-21(20)8-5-12-26-22/h3,5-6,8-9,11-13,16,19H,4,7,10,14-15,17H2,1-2H3/t19-/m1/s1
InChIKeyZHDVSKYRVJBJPB-LJQANCHMSA-N
MW388.52 g/mol
LogP4.00
Rot. Bonds5

About 1-[(2R)-2-methyl-4-(4-methyl-3-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one

1-[(2R)-2-methyl-4-(4-methyl-3-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one (PubChem CID 162666311) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 1-[(2R)-2-methyl-4-(4-methyl-3-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-methyl-4-(4-methyl-3-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one
PubChem CID162666311
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name1-[(2R)-2-methyl-4-(4-methyl-3-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one
SMILESCc1ccncc1N1CCN(C(=O)CCCc2cccc3ncccc23)[C@H](C)C1
InChIInChI=1S/C24H28N4O/c1-18-11-13-25-16-23(18)27-14-15-28(19(2)17-27)24(29)10-4-7-20-6-3-9-22-21(20)8-5-12-26-22/h3,5-6,8-9,11-13,16,19H,4,7,10,14-15,17H2,1-2H3/t19-/m1/s1
InChIKeyZHDVSKYRVJBJPB-LJQANCHMSA-N
XLogP4.00
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methyl-4-(4-methyl-3-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one?
The IUPAC name of 1-[(2R)-2-methyl-4-(4-methyl-3-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one (CID 162666311) is 1-[(2R)-2-methyl-4-(4-methyl-3-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one.
What is the SMILES notation for 1-[(2R)-2-methyl-4-(4-methyl-3-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one?
The canonical SMILES for 1-[(2R)-2-methyl-4-(4-methyl-3-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one is Cc1ccncc1N1CCN(C(=O)CCCc2cccc3ncccc23)[C@H](C)C1.
What is the InChIKey of 1-[(2R)-2-methyl-4-(4-methyl-3-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one?
The InChIKey is ZHDVSKYRVJBJPB-LJQANCHMSA-N. The full InChI is InChI=1S/C24H28N4O/c1-18-11-13-25-16-23(18)27-14-15-28(19(2)17-27)24(29)10-4-7-20-6-3-9-22-21(20)8-5-12-26-22/h3,5-6,8-9,11-13,16,19H,4,7,10,14-15,17H2,1-2H3/t19-/m1/s1.
What are the key properties of 1-[(2R)-2-methyl-4-(4-methyl-3-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one?
1-[(2R)-2-methyl-4-(4-methyl-3-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one has a molecular weight of 388.52 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methyl-4-(4-methyl-3-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one is sourced from PubChem (CID 162666311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).