(1R)-7-chloro-2-(3-imidazol-1-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H17ClN4O5 — CID 26741891

IUPAC(1R)-7-chloro-2-(3-imidazol-1-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1CCCn1ccnc1
InChIInChI=1S/C23H17ClN4O5/c24-15-4-7-18-17(12-15)21(29)19-20(14-2-5-16(6-3-14)28(31)32)27(23(30)22(19)33-18)10-1-9-26-11-8-25-13-26/h2-8,11-13,20H,1,9-10H2/t20-/m1/s1
InChIKeyPHYOHKSBPPWGHP-HXUWFJFHSA-N
MW464.87 g/mol
LogP4.19
Rot. Bonds6

About (1R)-7-chloro-2-(3-imidazol-1-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-7-chloro-2-(3-imidazol-1-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 26741891) 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-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-7-chloro-2-(3-imidazol-1-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID26741891
Molecular FormulaC23H17ClN4O5
Molecular Weight464.87 g/mol
Exact Mass464.09
IUPAC Name(1R)-7-chloro-2-(3-imidazol-1-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1CCCn1ccnc1
InChIInChI=1S/C23H17ClN4O5/c24-15-4-7-18-17(12-15)21(29)19-20(14-2-5-16(6-3-14)28(31)32)27(23(30)22(19)33-18)10-1-9-26-11-8-25-13-26/h2-8,11-13,20H,1,9-10H2/t20-/m1/s1
InChIKeyPHYOHKSBPPWGHP-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-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 26741889
7-chloro-2-(2-hydroxyethyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3845700
(1R)-1-(4-tert-butylphenyl)-2-(3-imidazol-1-ylpropyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 26741909
(1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40837577
7-chloro-1-(4-nitrophenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3593868
7-bromo-2-(3-morpholin-4-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705192
(1S)-2-(3-hydroxypropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2219556
(1R)-2-[3-(dimethylamino)propyl]-7-fluoro-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42066651
1-(3,4-dimethoxyphenyl)-2-(3-imidazol-1-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4898734
(1S)-7-chloro-2-(2-hydroxyethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40606586
3-[(1R)-7-chloro-1-(4-chlorophenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethylazanium
CID 2242497
7-chloro-2-(furan-2-ylmethyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4918987

Frequently Asked Questions

What is the IUPAC name of (1R)-7-chloro-2-(3-imidazol-1-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-7-chloro-2-(3-imidazol-1-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 26741891) is (1R)-7-chloro-2-(3-imidazol-1-ylpropyl)-1-(4-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-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-7-chloro-2-(3-imidazol-1-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1CCCn1ccnc1.
What is the InChIKey of (1R)-7-chloro-2-(3-imidazol-1-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is PHYOHKSBPPWGHP-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H17ClN4O5/c24-15-4-7-18-17(12-15)21(29)19-20(14-2-5-16(6-3-14)28(31)32)27(23(30)22(19)33-18)10-1-9-26-11-8-25-13-26/h2-8,11-13,20H,1,9-10H2/t20-/m1/s1.
What are the key properties of (1R)-7-chloro-2-(3-imidazol-1-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-7-chloro-2-(3-imidazol-1-ylpropyl)-1-(4-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-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 26741891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).