1,3-bis(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propane-1,3-dione

C23H26N2O2 — CID 2727672

IUPAC1,3-bis(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propane-1,3-dione
SMILESCc1ccc2c(c1)CCCN2C(=O)CC(=O)N1CCCc2cc(C)ccc21
InChIInChI=1S/C23H26N2O2/c1-16-7-9-20-18(13-16)5-3-11-24(20)22(26)15-23(27)25-12-4-6-19-14-17(2)8-10-21(19)25/h7-10,13-14H,3-6,11-12,15H2,1-2H3
InChIKeyBCZMPXSZJHNKOK-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.95
Rot. Bonds2

About 1,3-bis(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propane-1,3-dione

1,3-bis(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propane-1,3-dione (PubChem CID 2727672) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1,3-bis(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propane-1,3-dione.

Molecular Properties

Compound Name1,3-bis(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propane-1,3-dione
PubChem CID2727672
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name1,3-bis(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propane-1,3-dione
SMILESCc1ccc2c(c1)CCCN2C(=O)CC(=O)N1CCCc2cc(C)ccc21
InChIInChI=1S/C23H26N2O2/c1-16-7-9-20-18(13-16)5-3-11-24(20)22(26)15-23(27)25-12-4-6-19-14-17(2)8-10-21(19)25/h7-10,13-14H,3-6,11-12,15H2,1-2H3
InChIKeyBCZMPXSZJHNKOK-UHFFFAOYSA-N
XLogP3.95
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propane-1,3-dione?
The IUPAC name of 1,3-bis(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propane-1,3-dione (CID 2727672) is 1,3-bis(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propane-1,3-dione.
What is the SMILES notation for 1,3-bis(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propane-1,3-dione?
The canonical SMILES for 1,3-bis(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propane-1,3-dione is Cc1ccc2c(c1)CCCN2C(=O)CC(=O)N1CCCc2cc(C)ccc21.
What is the InChIKey of 1,3-bis(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propane-1,3-dione?
The InChIKey is BCZMPXSZJHNKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-16-7-9-20-18(13-16)5-3-11-24(20)22(26)15-23(27)25-12-4-6-19-14-17(2)8-10-21(19)25/h7-10,13-14H,3-6,11-12,15H2,1-2H3.
What are the key properties of 1,3-bis(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propane-1,3-dione?
1,3-bis(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propane-1,3-dione has a molecular weight of 362.47 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propane-1,3-dione is sourced from PubChem (CID 2727672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).