(4-butylpiperazin-1-yl)-(6-methyl-2-pyridin-2-ylquinolin-4-yl)methanone

C24H28N4O — CID 17126635

IUPAC(4-butylpiperazin-1-yl)-(6-methyl-2-pyridin-2-ylquinolin-4-yl)methanone
SMILESCCCCN1CCN(C(=O)c2cc(-c3ccccn3)nc3ccc(C)cc23)CC1
InChIInChI=1S/C24H28N4O/c1-3-4-11-27-12-14-28(15-13-27)24(29)20-17-23(22-7-5-6-10-25-22)26-21-9-8-18(2)16-19(20)21/h5-10,16-17H,3-4,11-15H2,1-2H3
InChIKeyQAJKTWAQHQGOTN-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.16
Rot. Bonds5

About (4-butylpiperazin-1-yl)-(6-methyl-2-pyridin-2-ylquinolin-4-yl)methanone

(4-butylpiperazin-1-yl)-(6-methyl-2-pyridin-2-ylquinolin-4-yl)methanone (PubChem CID 17126635) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is (4-butylpiperazin-1-yl)-(6-methyl-2-pyridin-2-ylquinolin-4-yl)methanone.

Molecular Properties

Compound Name(4-butylpiperazin-1-yl)-(6-methyl-2-pyridin-2-ylquinolin-4-yl)methanone
PubChem CID17126635
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name(4-butylpiperazin-1-yl)-(6-methyl-2-pyridin-2-ylquinolin-4-yl)methanone
SMILESCCCCN1CCN(C(=O)c2cc(-c3ccccn3)nc3ccc(C)cc23)CC1
InChIInChI=1S/C24H28N4O/c1-3-4-11-27-12-14-28(15-13-27)24(29)20-17-23(22-7-5-6-10-25-22)26-21-9-8-18(2)16-19(20)21/h5-10,16-17H,3-4,11-15H2,1-2H3
InChIKeyQAJKTWAQHQGOTN-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-butylpiperazin-1-yl)-(6-methyl-2-pyridin-2-ylquinolin-4-yl)methanone?
The IUPAC name of (4-butylpiperazin-1-yl)-(6-methyl-2-pyridin-2-ylquinolin-4-yl)methanone (CID 17126635) is (4-butylpiperazin-1-yl)-(6-methyl-2-pyridin-2-ylquinolin-4-yl)methanone.
What is the SMILES notation for (4-butylpiperazin-1-yl)-(6-methyl-2-pyridin-2-ylquinolin-4-yl)methanone?
The canonical SMILES for (4-butylpiperazin-1-yl)-(6-methyl-2-pyridin-2-ylquinolin-4-yl)methanone is CCCCN1CCN(C(=O)c2cc(-c3ccccn3)nc3ccc(C)cc23)CC1.
What is the InChIKey of (4-butylpiperazin-1-yl)-(6-methyl-2-pyridin-2-ylquinolin-4-yl)methanone?
The InChIKey is QAJKTWAQHQGOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-3-4-11-27-12-14-28(15-13-27)24(29)20-17-23(22-7-5-6-10-25-22)26-21-9-8-18(2)16-19(20)21/h5-10,16-17H,3-4,11-15H2,1-2H3.
What are the key properties of (4-butylpiperazin-1-yl)-(6-methyl-2-pyridin-2-ylquinolin-4-yl)methanone?
(4-butylpiperazin-1-yl)-(6-methyl-2-pyridin-2-ylquinolin-4-yl)methanone has a molecular weight of 388.52 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylpiperazin-1-yl)-(6-methyl-2-pyridin-2-ylquinolin-4-yl)methanone is sourced from PubChem (CID 17126635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).