(1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H27ClN2O4 — CID 2242570

IUPAC(1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCOc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(C)C)cc1
InChIInChI=1S/C25H27ClN2O4/c1-4-14-31-18-9-6-16(7-10-18)22-21-23(29)19-15-17(26)8-11-20(19)32-24(21)25(30)28(22)13-5-12-27(2)3/h6-11,15,22H,4-5,12-14H2,1-3H3/t22-/m1/s1
InChIKeyADVHGVUUHSNHOJ-JOCHJYFZSA-N
MW454.95 g/mol
LogP4.73
Rot. Bonds8

About (1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2242570) has the molecular formula C25H27ClN2O4 and a molecular weight of 454.95 g/mol. Its IUPAC name is (1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2242570
Molecular FormulaC25H27ClN2O4
Molecular Weight454.95 g/mol
Exact Mass454.17
IUPAC Name(1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCOc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(C)C)cc1
InChIInChI=1S/C25H27ClN2O4/c1-4-14-31-18-9-6-16(7-10-18)22-21-23(29)19-15-17(26)8-11-20(19)32-24(21)25(30)28(22)13-5-12-27(2)3/h6-11,15,22H,4-5,12-14H2,1-3H3/t22-/m1/s1
InChIKeyADVHGVUUHSNHOJ-JOCHJYFZSA-N
XLogP4.73
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.95
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-2-[3-(dimethylamino)propyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4551176
(1S)-7-chloro-2-[3-(diethylamino)propyl]-1-(4-ethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40837565
7-chloro-2-[3-(dimethylamino)propyl]-1-(4-hexoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706018
1-(4-butoxy-3-ethoxyphenyl)-7-chloro-2-[2-(dimethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705841
(1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(3-ethoxy-4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 39866958
methyl 4-[7-chloro-2-[3-(dimethylamino)propyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 2954744
(1R)-2-[2-(dimethylamino)ethyl]-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41019785
(1S)-7-chloro-2-[3-(dimethylamino)propyl]-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2242541
7-chloro-2-methyl-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18879694
7-chloro-1-(4-hexoxyphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706716
7-chloro-1-(4-hexoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18879709
2-benzyl-7-chloro-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810091

Frequently Asked Questions

What is the IUPAC name of (1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2242570) is (1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCOc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(C)C)cc1.
What is the InChIKey of (1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is ADVHGVUUHSNHOJ-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H27ClN2O4/c1-4-14-31-18-9-6-16(7-10-18)22-21-23(29)19-15-17(26)8-11-20(19)32-24(21)25(30)28(22)13-5-12-27(2)3/h6-11,15,22H,4-5,12-14H2,1-3H3/t22-/m1/s1.
What are the key properties of (1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 454.95 g/mol, XLogP of 4.73, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2242570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).