1,6-dimethyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3,4-dihydroquinolin-2-one

C27H32N4O — CID 24804774

IUPAC1,6-dimethyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3,4-dihydroquinolin-2-one
SMILESCc1ccc2c(N3CCN(CCc4c(C)ccc5c4CCC(=O)N5C)CC3)cccc2n1
InChIInChI=1S/C27H32N4O/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/h4-9,11H,10,12-18H2,1-3H3
InChIKeyPDLXDQOODGXTSQ-UHFFFAOYSA-N
MW428.58 g/mol
LogP4.13
Rot. Bonds4

About 1,6-dimethyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3,4-dihydroquinolin-2-one

1,6-dimethyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3,4-dihydroquinolin-2-one (PubChem CID 24804774) has the molecular formula C27H32N4O and a molecular weight of 428.58 g/mol. Its IUPAC name is 1,6-dimethyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1,6-dimethyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3,4-dihydroquinolin-2-one
PubChem CID24804774
Molecular FormulaC27H32N4O
Molecular Weight428.58 g/mol
Exact Mass428.26
IUPAC Name1,6-dimethyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3,4-dihydroquinolin-2-one
SMILESCc1ccc2c(N3CCN(CCc4c(C)ccc5c4CCC(=O)N5C)CC3)cccc2n1
InChIInChI=1S/C27H32N4O/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/h4-9,11H,10,12-18H2,1-3H3
InChIKeyPDLXDQOODGXTSQ-UHFFFAOYSA-N
XLogP4.13
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1,6-dimethyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3,4-dihydroquinolin-2-one (CID 24804774) is 1,6-dimethyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1,6-dimethyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1,6-dimethyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3,4-dihydroquinolin-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]-3,4-dihydroquinolin-2-one?
The InChIKey is PDLXDQOODGXTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O/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/h4-9,11H,10,12-18H2,1-3H3.
What are the key properties of 1,6-dimethyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3,4-dihydroquinolin-2-one?
1,6-dimethyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3,4-dihydroquinolin-2-one has a molecular weight of 428.58 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 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]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 24804774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).