1-[[4-[2-(diethylamino)ethylsulfonyl]phenyl]iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one

C24H26N4O3S — CID 135444753

IUPAC1-[[4-[2-(diethylamino)ethylsulfonyl]phenyl]iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one
SMILESCCN(CC)CCS(=O)(=O)c1ccc(/N=C/c2c(=O)[nH]c3ccc4[nH]cccc4c23)cc1
InChIInChI=1S/C24H26N4O3S/c1-3-28(4-2)14-15-32(30,31)18-9-7-17(8-10-18)26-16-20-23-19-6-5-13-25-21(19)11-12-22(23)27-24(20)29/h5-13,16,25H,3-4,14-15H2,1-2H3,(H,27,29)/b26-16+
InChIKeyHBLVSPVZGHESAP-WGOQTCKBSA-N
MW450.56 g/mol
LogP3.88
Rot. Bonds8

About 1-[[4-[2-(diethylamino)ethylsulfonyl]phenyl]iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one

1-[[4-[2-(diethylamino)ethylsulfonyl]phenyl]iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one (PubChem CID 135444753) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is 1-[[4-[2-(diethylamino)ethylsulfonyl]phenyl]iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one.

Molecular Properties

Compound Name1-[[4-[2-(diethylamino)ethylsulfonyl]phenyl]iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one
PubChem CID135444753
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC Name1-[[4-[2-(diethylamino)ethylsulfonyl]phenyl]iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one
SMILESCCN(CC)CCS(=O)(=O)c1ccc(/N=C/c2c(=O)[nH]c3ccc4[nH]cccc4c23)cc1
InChIInChI=1S/C24H26N4O3S/c1-3-28(4-2)14-15-32(30,31)18-9-7-17(8-10-18)26-16-20-23-19-6-5-13-25-21(19)11-12-22(23)27-24(20)29/h5-13,16,25H,3-4,14-15H2,1-2H3,(H,27,29)/b26-16+
InChIKeyHBLVSPVZGHESAP-WGOQTCKBSA-N
XLogP3.88
TPSA98.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[2-(diethylamino)ethylsulfonyl]phenyl]iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one?
The IUPAC name of 1-[[4-[2-(diethylamino)ethylsulfonyl]phenyl]iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one (CID 135444753) is 1-[[4-[2-(diethylamino)ethylsulfonyl]phenyl]iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one.
What is the SMILES notation for 1-[[4-[2-(diethylamino)ethylsulfonyl]phenyl]iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one?
The canonical SMILES for 1-[[4-[2-(diethylamino)ethylsulfonyl]phenyl]iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one is CCN(CC)CCS(=O)(=O)c1ccc(/N=C/c2c(=O)[nH]c3ccc4[nH]cccc4c23)cc1.
What is the InChIKey of 1-[[4-[2-(diethylamino)ethylsulfonyl]phenyl]iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one?
The InChIKey is HBLVSPVZGHESAP-WGOQTCKBSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-3-28(4-2)14-15-32(30,31)18-9-7-17(8-10-18)26-16-20-23-19-6-5-13-25-21(19)11-12-22(23)27-24(20)29/h5-13,16,25H,3-4,14-15H2,1-2H3,(H,27,29)/b26-16+.
What are the key properties of 1-[[4-[2-(diethylamino)ethylsulfonyl]phenyl]iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one?
1-[[4-[2-(diethylamino)ethylsulfonyl]phenyl]iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one has a molecular weight of 450.56 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[2-(diethylamino)ethylsulfonyl]phenyl]iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one is sourced from PubChem (CID 135444753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).