2-(benzylamino)-5-ethyl-3-(2-nitrophenyl)furo[3,2-c]quinolin-4-one

C26H21N3O4 — CID 18887806

IUPAC2-(benzylamino)-5-ethyl-3-(2-nitrophenyl)furo[3,2-c]quinolin-4-one
SMILESCCn1c(=O)c2c(-c3ccccc3[N+](=O)[O-])c(NCc3ccccc3)oc2c2ccccc21
InChIInChI=1S/C26H21N3O4/c1-2-28-20-14-8-7-13-19(20)24-23(26(28)30)22(18-12-6-9-15-21(18)29(31)32)25(33-24)27-16-17-10-4-3-5-11-17/h3-15,27H,2,16H2,1H3
InChIKeyYQIFJRCKRXAACS-UHFFFAOYSA-N
MW439.47 g/mol
LogP5.95
Rot. Bonds6

About 2-(benzylamino)-5-ethyl-3-(2-nitrophenyl)furo[3,2-c]quinolin-4-one

2-(benzylamino)-5-ethyl-3-(2-nitrophenyl)furo[3,2-c]quinolin-4-one (PubChem CID 18887806) has the molecular formula C26H21N3O4 and a molecular weight of 439.47 g/mol. Its IUPAC name is 2-(benzylamino)-5-ethyl-3-(2-nitrophenyl)furo[3,2-c]quinolin-4-one.

Molecular Properties

Compound Name2-(benzylamino)-5-ethyl-3-(2-nitrophenyl)furo[3,2-c]quinolin-4-one
PubChem CID18887806
Molecular FormulaC26H21N3O4
Molecular Weight439.47 g/mol
Exact Mass439.15
IUPAC Name2-(benzylamino)-5-ethyl-3-(2-nitrophenyl)furo[3,2-c]quinolin-4-one
SMILESCCn1c(=O)c2c(-c3ccccc3[N+](=O)[O-])c(NCc3ccccc3)oc2c2ccccc21
InChIInChI=1S/C26H21N3O4/c1-2-28-20-14-8-7-13-19(20)24-23(26(28)30)22(18-12-6-9-15-21(18)29(31)32)25(33-24)27-16-17-10-4-3-5-11-17/h3-15,27H,2,16H2,1H3
InChIKeyYQIFJRCKRXAACS-UHFFFAOYSA-N
XLogP5.95
TPSA90.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.47
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(benzylamino)-5-methyl-3-(2-nitrophenyl)furo[3,2-c]quinolin-4-one
CID 18887779
2-(benzylamino)-3-(4-chlorophenyl)-5-methylfuro[3,2-c]quinolin-4-one
CID 18887774
5-ethylchromeno[3,2-c]quinoline-6,7-dione
CID 12511623
3-(4-bromophenyl)-2-(2,4-dimethylanilino)-5-ethylfuro[3,2-c]quinolin-4-one
CID 18887867
4-(1,3-benzodioxol-5-ylmethylamino)-1-ethyl-3-nitroquinolin-2-one
CID 4585680
6-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)-5-nitro-2-oxo-1H-pyridine-3-carbonitrile
CID 102313247
6-Ethyl-9-fluoro-5,6-dihydro-3-nitro-2,5-dioxo-2H-pyrano[3,2-c]quinoline-4-ol sodium
CID 86737613
1-ethyl-3-nitro-4-(prop-2-enylamino)quinolin-2-one
CID 4587506
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide
CID 55900388
4-nitro-3,3-bis(1-octyl-2-phenylindol-3-yl)-2-benzofuran-1-one
CID 71366675
1-benzyl-2,5-bis(2-nitrophenyl)pyrrole
CID 141232872
2-(2-nitrophenyl)-5-(pyridin-4-ylmethylamino)-1,3-oxazole-4-carbonitrile
CID 43865837

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-5-ethyl-3-(2-nitrophenyl)furo[3,2-c]quinolin-4-one?
The IUPAC name of 2-(benzylamino)-5-ethyl-3-(2-nitrophenyl)furo[3,2-c]quinolin-4-one (CID 18887806) is 2-(benzylamino)-5-ethyl-3-(2-nitrophenyl)furo[3,2-c]quinolin-4-one.
What is the SMILES notation for 2-(benzylamino)-5-ethyl-3-(2-nitrophenyl)furo[3,2-c]quinolin-4-one?
The canonical SMILES for 2-(benzylamino)-5-ethyl-3-(2-nitrophenyl)furo[3,2-c]quinolin-4-one is CCn1c(=O)c2c(-c3ccccc3[N+](=O)[O-])c(NCc3ccccc3)oc2c2ccccc21.
What is the InChIKey of 2-(benzylamino)-5-ethyl-3-(2-nitrophenyl)furo[3,2-c]quinolin-4-one?
The InChIKey is YQIFJRCKRXAACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O4/c1-2-28-20-14-8-7-13-19(20)24-23(26(28)30)22(18-12-6-9-15-21(18)29(31)32)25(33-24)27-16-17-10-4-3-5-11-17/h3-15,27H,2,16H2,1H3.
What are the key properties of 2-(benzylamino)-5-ethyl-3-(2-nitrophenyl)furo[3,2-c]quinolin-4-one?
2-(benzylamino)-5-ethyl-3-(2-nitrophenyl)furo[3,2-c]quinolin-4-one has a molecular weight of 439.47 g/mol, XLogP of 5.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-5-ethyl-3-(2-nitrophenyl)furo[3,2-c]quinolin-4-one is sourced from PubChem (CID 18887806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).