2-[2-(diethylamino)ethyl]-7-ethyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H27N3O5 — CID 23472837

IUPAC2-[2-(diethylamino)ethyl]-7-ethyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCc1ccc2oc3c(c(=O)c2c1)C(c1ccc([N+](=O)[O-])cc1)N(CCN(CC)CC)C3=O
InChIInChI=1S/C25H27N3O5/c1-4-16-7-12-20-19(15-16)23(29)21-22(17-8-10-18(11-9-17)28(31)32)27(25(30)24(21)33-20)14-13-26(5-2)6-3/h7-12,15,22H,4-6,13-14H2,1-3H3
InChIKeyFCVIJZOFGZOKCZ-UHFFFAOYSA-N
MW449.51 g/mol
LogP4.15
Rot. Bonds8

About 2-[2-(diethylamino)ethyl]-7-ethyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-[2-(diethylamino)ethyl]-7-ethyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 23472837) has the molecular formula C25H27N3O5 and a molecular weight of 449.51 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]-7-ethyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]-7-ethyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID23472837
Molecular FormulaC25H27N3O5
Molecular Weight449.51 g/mol
Exact Mass449.20
IUPAC Name2-[2-(diethylamino)ethyl]-7-ethyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCc1ccc2oc3c(c(=O)c2c1)C(c1ccc([N+](=O)[O-])cc1)N(CCN(CC)CC)C3=O
InChIInChI=1S/C25H27N3O5/c1-4-16-7-12-20-19(15-16)23(29)21-22(17-8-10-18(11-9-17)28(31)32)27(25(30)24(21)33-20)14-13-26(5-2)6-3/h7-12,15,22H,4-6,13-14H2,1-3H3
InChIKeyFCVIJZOFGZOKCZ-UHFFFAOYSA-N
XLogP4.15
TPSA96.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(diethylamino)ethyl]-7-ethyl-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472846
2-[2-(diethylamino)ethyl]-7-ethyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472848
7-bromo-2-[2-(dimethylamino)ethyl]-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705639
2-[2-(diethylamino)ethyl]-7-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705311
2-[2-(diethylamino)ethyl]-7-ethyl-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472840
7-bromo-1-(4-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705371
7-chloro-2-[3-(diethylamino)propyl]-1-(4-ethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 44812180
(1R)-2-[3-(dimethylamino)propyl]-7-fluoro-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42066651
2-[3-(diethylamino)propyl]-7-ethyl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472946
7-fluoro-2-[(4-fluorophenyl)methyl]-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810250
7-chloro-2-(2-hydroxyethyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3845700
7-bromo-2-[2-(diethylamino)ethyl]-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705415

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl]-7-ethyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-[2-(diethylamino)ethyl]-7-ethyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 23472837) is 2-[2-(diethylamino)ethyl]-7-ethyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]-7-ethyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-[2-(diethylamino)ethyl]-7-ethyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCc1ccc2oc3c(c(=O)c2c1)C(c1ccc([N+](=O)[O-])cc1)N(CCN(CC)CC)C3=O.
What is the InChIKey of 2-[2-(diethylamino)ethyl]-7-ethyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is FCVIJZOFGZOKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5/c1-4-16-7-12-20-19(15-16)23(29)21-22(17-8-10-18(11-9-17)28(31)32)27(25(30)24(21)33-20)14-13-26(5-2)6-3/h7-12,15,22H,4-6,13-14H2,1-3H3.
What are the key properties of 2-[2-(diethylamino)ethyl]-7-ethyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-[2-(diethylamino)ethyl]-7-ethyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 449.51 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl]-7-ethyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 23472837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).