2-[2-(dibutylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione

C22H29N3O2 — CID 588375

IUPAC2-[2-(dibutylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
SMILESCCCCN(CCCC)CCN1C(=O)c2c(C)nc3ccccc3c2C1=O
InChIInChI=1S/C22H29N3O2/c1-4-6-12-24(13-7-5-2)14-15-25-21(26)19-16(3)23-18-11-9-8-10-17(18)20(19)22(25)27/h8-11H,4-7,12-15H2,1-3H3
InChIKeyKRXCPWWKRYUJFH-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.04
Rot. Bonds9

About 2-[2-(dibutylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione

2-[2-(dibutylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione (PubChem CID 588375) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-[2-(dibutylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione.

Molecular Properties

Compound Name2-[2-(dibutylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
PubChem CID588375
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2-[2-(dibutylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
SMILESCCCCN(CCCC)CCN1C(=O)c2c(C)nc3ccccc3c2C1=O
InChIInChI=1S/C22H29N3O2/c1-4-6-12-24(13-7-5-2)14-15-25-21(26)19-16(3)23-18-11-9-8-10-17(18)20(19)22(25)27/h8-11H,4-7,12-15H2,1-3H3
InChIKeyKRXCPWWKRYUJFH-UHFFFAOYSA-N
XLogP4.04
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(diethylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
CID 15154348
2-[2-(dioctylamino)ethyl]isoindole-1,3-dione
CID 170273237
8-bromo-2-[2-(dimethylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
CID 15154346
3-[3-(diethylamino)propyl]-2-phenylquinazolin-4-one
CID 23736145
4-methyl-2-pyridin-3-ylpyrrolo[3,4-c]quinoline-1,3-dione
CID 22422576
2-[2-[benzyl(hexyl)amino]ethyl]isoindole-1,3-dione
CID 22067483
11,11-dimethyl-14-propyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,12-hexaene-10,15-dione
CID 73294043
4-ethyl-2-[2-(1H-imidazol-5-yl)ethyl]pyrrolo[3,4-c]quinoline-1,3-dione
CID 6735722
3-hexyl-2-phenylquinazolin-4-one
CID 7559853
2-amino-3-butylquinazolin-4-one
CID 71653207
2-(5-chloro-2-methoxyphenyl)-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
CID 22422590
2-(chloromethyl)-3-[3-(diethylamino)propyl]quinazolin-4-one
CID 61064400

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dibutylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione?
The IUPAC name of 2-[2-(dibutylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione (CID 588375) is 2-[2-(dibutylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione.
What is the SMILES notation for 2-[2-(dibutylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione?
The canonical SMILES for 2-[2-(dibutylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione is CCCCN(CCCC)CCN1C(=O)c2c(C)nc3ccccc3c2C1=O.
What is the InChIKey of 2-[2-(dibutylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione?
The InChIKey is KRXCPWWKRYUJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-4-6-12-24(13-7-5-2)14-15-25-21(26)19-16(3)23-18-11-9-8-10-17(18)20(19)22(25)27/h8-11H,4-7,12-15H2,1-3H3.
What are the key properties of 2-[2-(dibutylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione?
2-[2-(dibutylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione has a molecular weight of 367.49 g/mol, XLogP of 4.04, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dibutylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione is sourced from PubChem (CID 588375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).