2,7-bis(4-pyrrolidin-1-ylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione

C32H30N4O2 — CID 139781766

IUPAC2,7-bis(4-pyrrolidin-1-ylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione
SMILESO=c1cc(-c2ccc(N3CCCC3)cc2)[nH]c2cc3c(=O)cc(-c4ccc(N5CCCC5)cc4)[nH]c3cc12
InChIInChI=1S/C32H30N4O2/c37-31-19-27(21-5-9-23(10-6-21)35-13-1-2-14-35)33-29-17-26-30(18-25(29)31)34-28(20-32(26)38)22-7-11-24(12-8-22)36-15-3-4-16-36/h5-12,17-20H,1-4,13-16H2,(H,33,37)(H,34,38)
InChIKeyYCDUWGROUKWHBP-UHFFFAOYSA-N
MW502.62 g/mol
LogP5.90
Rot. Bonds4

About 2,7-bis(4-pyrrolidin-1-ylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione

2,7-bis(4-pyrrolidin-1-ylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione (PubChem CID 139781766) has the molecular formula C32H30N4O2 and a molecular weight of 502.62 g/mol. Its IUPAC name is 2,7-bis(4-pyrrolidin-1-ylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione.

Molecular Properties

Compound Name2,7-bis(4-pyrrolidin-1-ylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione
PubChem CID139781766
Molecular FormulaC32H30N4O2
Molecular Weight502.62 g/mol
Exact Mass502.24
IUPAC Name2,7-bis(4-pyrrolidin-1-ylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione
SMILESO=c1cc(-c2ccc(N3CCCC3)cc2)[nH]c2cc3c(=O)cc(-c4ccc(N5CCCC5)cc4)[nH]c3cc12
InChIInChI=1S/C32H30N4O2/c37-31-19-27(21-5-9-23(10-6-21)35-13-1-2-14-35)33-29-17-26-30(18-25(29)31)34-28(20-32(26)38)22-7-11-24(12-8-22)36-15-3-4-16-36/h5-12,17-20H,1-4,13-16H2,(H,33,37)(H,34,38)
InChIKeyYCDUWGROUKWHBP-UHFFFAOYSA-N
XLogP5.90
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.62
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-hydroxy-3-methoxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one
CID 56645525
4-oxo-6-(4-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid
CID 175826242
3,6,7-trimethyl-2-(4-piperidin-1-ylphenyl)-1H-quinolin-4-one
CID 158344353
[3-(4-oxo-6-pyrrolidin-1-yl-1H-quinolin-2-yl)phenyl] bis(phenylmethoxy) phosphate
CID 142713834
2-[4-(4-phenylpiperazin-1-yl)phenyl]-1H-indole
CID 163366166
6-(dimethylamino)-2-(2-hydroxyphenyl)-1H-quinolin-4-one;6-(dimethylamino)-2-(3-methylphenyl)-1H-quinolin-4-one;2-(2-hydroxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one;2-(3-methylphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one
CID 161360591
methyl 4-oxo-6-pyrrolidin-1-yl-1H-quinoline-2-carboxylate
CID 63376573
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
6-(4-pyrrolidin-1-ylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 71765459
7-pyrrolidin-1-yl-2,3,4,9-tetrahydrocarbazol-1-one
CID 168514873
2-(4-hydroxyphenyl)-6-methyl-1H-quinolin-4-one
CID 10658383
2-(carbamoylamino)-6-pyrrolidin-1-yl-1H-indole-3-carboxamide
CID 24987218

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(4-pyrrolidin-1-ylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione?
The IUPAC name of 2,7-bis(4-pyrrolidin-1-ylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione (CID 139781766) is 2,7-bis(4-pyrrolidin-1-ylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione.
What is the SMILES notation for 2,7-bis(4-pyrrolidin-1-ylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione?
The canonical SMILES for 2,7-bis(4-pyrrolidin-1-ylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione is O=c1cc(-c2ccc(N3CCCC3)cc2)[nH]c2cc3c(=O)cc(-c4ccc(N5CCCC5)cc4)[nH]c3cc12.
What is the InChIKey of 2,7-bis(4-pyrrolidin-1-ylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione?
The InChIKey is YCDUWGROUKWHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N4O2/c37-31-19-27(21-5-9-23(10-6-21)35-13-1-2-14-35)33-29-17-26-30(18-25(29)31)34-28(20-32(26)38)22-7-11-24(12-8-22)36-15-3-4-16-36/h5-12,17-20H,1-4,13-16H2,(H,33,37)(H,34,38).
What are the key properties of 2,7-bis(4-pyrrolidin-1-ylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione?
2,7-bis(4-pyrrolidin-1-ylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione has a molecular weight of 502.62 g/mol, XLogP of 5.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(4-pyrrolidin-1-ylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione is sourced from PubChem (CID 139781766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).