3,8-diethyl-2,7-bis(4-methoxyphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione

C30H28N2O4 — CID 139781786

IUPAC3,8-diethyl-2,7-bis(4-methoxyphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione
SMILESCCc1c(-c2ccc(OC)cc2)[nH]c2cc3c(=O)c(CC)c(-c4ccc(OC)cc4)[nH]c3cc2c1=O
InChIInChI=1S/C30H28N2O4/c1-5-21-27(17-7-11-19(35-3)12-8-17)31-25-16-24-26(15-23(25)29(21)33)32-28(22(6-2)30(24)34)18-9-13-20(36-4)14-10-18/h7-16H,5-6H2,1-4H3,(H,31,33)(H,32,34)
InChIKeyYZZXSHZRWATHQR-UHFFFAOYSA-N
MW480.56 g/mol
LogP5.85
Rot. Bonds6

About 3,8-diethyl-2,7-bis(4-methoxyphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione

3,8-diethyl-2,7-bis(4-methoxyphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione (PubChem CID 139781786) has the molecular formula C30H28N2O4 and a molecular weight of 480.56 g/mol. Its IUPAC name is 3,8-diethyl-2,7-bis(4-methoxyphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione.

Molecular Properties

Compound Name3,8-diethyl-2,7-bis(4-methoxyphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione
PubChem CID139781786
Molecular FormulaC30H28N2O4
Molecular Weight480.56 g/mol
Exact Mass480.20
IUPAC Name3,8-diethyl-2,7-bis(4-methoxyphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione
SMILESCCc1c(-c2ccc(OC)cc2)[nH]c2cc3c(=O)c(CC)c(-c4ccc(OC)cc4)[nH]c3cc2c1=O
InChIInChI=1S/C30H28N2O4/c1-5-21-27(17-7-11-19(35-3)12-8-17)31-25-16-24-26(15-23(25)29(21)33)32-28(22(6-2)30(24)34)18-9-13-20(36-4)14-10-18/h7-16H,5-6H2,1-4H3,(H,31,33)(H,32,34)
InChIKeyYZZXSHZRWATHQR-UHFFFAOYSA-N
XLogP5.85
TPSA84.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.56
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3,8-diethyl-2,7-bis(4-methoxyphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione with MolForge

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Related Compounds

CID 159077909
CID 159077909
ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate
CID 3022167
3,10-bis(4-methoxyphenoxy)-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 139788379
3-chloro-2-(4-methoxyphenyl)-1H-quinolin-4-one
CID 70694151
3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1H-quinoline-7-carboxylic acid
CID 153379054
6-methoxy-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-phenyl-1H-quinolin-4-one
CID 4054264
2-[4-(3-chloropropoxy)phenyl]-3-hydroxy-6,7-dimethoxy-1H-quinolin-4-one
CID 166520756
3,8-dimethyl-2,7-bis(4-methylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione
CID 139781792
N-ethyl-2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methylethanamine
CID 59921071
ethyl 2-(4-tert-butylphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 46884105
5-ethyl-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281958
3-[2-(4-bromophenyl)-5-methoxy-1H-indol-3-yl]propanoic acid
CID 165440970

Frequently Asked Questions

What is the IUPAC name of 3,8-diethyl-2,7-bis(4-methoxyphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione?
The IUPAC name of 3,8-diethyl-2,7-bis(4-methoxyphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione (CID 139781786) is 3,8-diethyl-2,7-bis(4-methoxyphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione.
What is the SMILES notation for 3,8-diethyl-2,7-bis(4-methoxyphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione?
The canonical SMILES for 3,8-diethyl-2,7-bis(4-methoxyphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione is CCc1c(-c2ccc(OC)cc2)[nH]c2cc3c(=O)c(CC)c(-c4ccc(OC)cc4)[nH]c3cc2c1=O.
What is the InChIKey of 3,8-diethyl-2,7-bis(4-methoxyphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione?
The InChIKey is YZZXSHZRWATHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O4/c1-5-21-27(17-7-11-19(35-3)12-8-17)31-25-16-24-26(15-23(25)29(21)33)32-28(22(6-2)30(24)34)18-9-13-20(36-4)14-10-18/h7-16H,5-6H2,1-4H3,(H,31,33)(H,32,34).
What are the key properties of 3,8-diethyl-2,7-bis(4-methoxyphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione?
3,8-diethyl-2,7-bis(4-methoxyphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione has a molecular weight of 480.56 g/mol, XLogP of 5.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-diethyl-2,7-bis(4-methoxyphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione is sourced from PubChem (CID 139781786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).