(1R)-7-chloro-2-(3-imidazol-1-ylpropyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H17ClN4O5 — CID 26741889

IUPAC(1R)-7-chloro-2-(3-imidazol-1-ylpropyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1CCCn1ccnc1
InChIInChI=1S/C23H17ClN4O5/c24-15-5-6-18-17(12-15)21(29)19-20(14-3-1-4-16(11-14)28(31)32)27(23(30)22(19)33-18)9-2-8-26-10-7-25-13-26/h1,3-7,10-13,20H,2,8-9H2/t20-/m1/s1
InChIKeyYLEINXBYQHNJKE-HXUWFJFHSA-N
MW464.87 g/mol
LogP4.19
Rot. Bonds6

About (1R)-7-chloro-2-(3-imidazol-1-ylpropyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-7-chloro-2-(3-imidazol-1-ylpropyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 26741889) has the molecular formula C23H17ClN4O5 and a molecular weight of 464.87 g/mol. Its IUPAC name is (1R)-7-chloro-2-(3-imidazol-1-ylpropyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-7-chloro-2-(3-imidazol-1-ylpropyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID26741889
Molecular FormulaC23H17ClN4O5
Molecular Weight464.87 g/mol
Exact Mass464.09
IUPAC Name(1R)-7-chloro-2-(3-imidazol-1-ylpropyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1CCCn1ccnc1
InChIInChI=1S/C23H17ClN4O5/c24-15-5-6-18-17(12-15)21(29)19-20(14-3-1-4-16(11-14)28(31)32)27(23(30)22(19)33-18)9-2-8-26-10-7-25-13-26/h1,3-7,10-13,20H,2,8-9H2/t20-/m1/s1
InChIKeyYLEINXBYQHNJKE-HXUWFJFHSA-N
XLogP4.19
TPSA111.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.87
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

(1R)-7-chloro-2-(3-imidazol-1-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 26741891
(1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40837577
7-chloro-2-(furan-2-ylmethyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4918987
(1R)-7-chloro-2-[2-(4-methoxyphenyl)ethyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 1423939
7-fluoro-2-(3-hydroxypropyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3776570
7-chloro-2-(2-hydroxyethyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3845700
(1R)-7-chloro-1-(3-nitrophenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 1424318
7-chloro-1-(3-chlorophenyl)-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3518354
(1S)-2-[3-(diethylamino)propyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 1424279
7-chloro-6-methyl-1-(3-nitrophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19134582
(1R)-1-(4-tert-butylphenyl)-2-(3-imidazol-1-ylpropyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 26741909
(1S)-7-chloro-1-(3-chlorophenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27308560

Frequently Asked Questions

What is the IUPAC name of (1R)-7-chloro-2-(3-imidazol-1-ylpropyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-7-chloro-2-(3-imidazol-1-ylpropyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 26741889) is (1R)-7-chloro-2-(3-imidazol-1-ylpropyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-7-chloro-2-(3-imidazol-1-ylpropyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-7-chloro-2-(3-imidazol-1-ylpropyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1CCCn1ccnc1.
What is the InChIKey of (1R)-7-chloro-2-(3-imidazol-1-ylpropyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is YLEINXBYQHNJKE-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H17ClN4O5/c24-15-5-6-18-17(12-15)21(29)19-20(14-3-1-4-16(11-14)28(31)32)27(23(30)22(19)33-18)9-2-8-26-10-7-25-13-26/h1,3-7,10-13,20H,2,8-9H2/t20-/m1/s1.
What are the key properties of (1R)-7-chloro-2-(3-imidazol-1-ylpropyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-7-chloro-2-(3-imidazol-1-ylpropyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 464.87 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-chloro-2-(3-imidazol-1-ylpropyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 26741889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).