1,6-dimethyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one

C27H30N4O — CID 52948697

IUPAC1,6-dimethyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one
SMILESCc1ccc2c(N3CCN(CCc4c(C)ccc5c4ccc(=O)n5C)CC3)cccc2n1
InChIInChI=1S/C27H30N4O/c1-19-7-11-25-22(10-12-27(32)29(25)3)21(19)13-14-30-15-17-31(18-16-30)26-6-4-5-24-23(26)9-8-20(2)28-24/h4-12H,13-18H2,1-3H3
InChIKeyZJRBDUXTOJWXLZ-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.07
Rot. Bonds4

About 1,6-dimethyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one

1,6-dimethyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one (PubChem CID 52948697) has the molecular formula C27H30N4O and a molecular weight of 426.56 g/mol. Its IUPAC name is 1,6-dimethyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one.

Molecular Properties

Compound Name1,6-dimethyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one
PubChem CID52948697
Molecular FormulaC27H30N4O
Molecular Weight426.56 g/mol
Exact Mass426.24
IUPAC Name1,6-dimethyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one
SMILESCc1ccc2c(N3CCN(CCc4c(C)ccc5c4ccc(=O)n5C)CC3)cccc2n1
InChIInChI=1S/C27H30N4O/c1-19-7-11-25-22(10-12-27(32)29(25)3)21(19)13-14-30-15-17-31(18-16-30)26-6-4-5-24-23(26)9-8-20(2)28-24/h4-12H,13-18H2,1-3H3
InChIKeyZJRBDUXTOJWXLZ-UHFFFAOYSA-N
XLogP4.07
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one?
The IUPAC name of 1,6-dimethyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one (CID 52948697) is 1,6-dimethyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one.
What is the SMILES notation for 1,6-dimethyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one?
The canonical SMILES for 1,6-dimethyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one is Cc1ccc2c(N3CCN(CCc4c(C)ccc5c4ccc(=O)n5C)CC3)cccc2n1.
What is the InChIKey of 1,6-dimethyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one?
The InChIKey is ZJRBDUXTOJWXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O/c1-19-7-11-25-22(10-12-27(32)29(25)3)21(19)13-14-30-15-17-31(18-16-30)26-6-4-5-24-23(26)9-8-20(2)28-24/h4-12H,13-18H2,1-3H3.
What are the key properties of 1,6-dimethyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one?
1,6-dimethyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one has a molecular weight of 426.56 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one is sourced from PubChem (CID 52948697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).