(1S)-7-chloro-2-[2-(diethylamino)ethyl]-6-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H27ClN2O3 — CID 41417683

IUPAC(1S)-7-chloro-2-[2-(diethylamino)ethyl]-6-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCN(CC)CCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@@H]1c1ccc(C)cc1
InChIInChI=1S/C25H27ClN2O3/c1-5-27(6-2)11-12-28-22(17-9-7-15(3)8-10-17)21-23(29)18-14-19(26)16(4)13-20(18)31-24(21)25(28)30/h7-10,13-14,22H,5-6,11-12H2,1-4H3/t22-/m0/s1
InChIKeyHLCAOAUUEABFQJ-QFIPXVFZSA-N
MW438.96 g/mol
LogP4.95
Rot. Bonds6

About (1S)-7-chloro-2-[2-(diethylamino)ethyl]-6-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1S)-7-chloro-2-[2-(diethylamino)ethyl]-6-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 41417683) has the molecular formula C25H27ClN2O3 and a molecular weight of 438.96 g/mol. Its IUPAC name is (1S)-7-chloro-2-[2-(diethylamino)ethyl]-6-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-7-chloro-2-[2-(diethylamino)ethyl]-6-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID41417683
Molecular FormulaC25H27ClN2O3
Molecular Weight438.96 g/mol
Exact Mass438.17
IUPAC Name(1S)-7-chloro-2-[2-(diethylamino)ethyl]-6-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCN(CC)CCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@@H]1c1ccc(C)cc1
InChIInChI=1S/C25H27ClN2O3/c1-5-27(6-2)11-12-28-22(17-9-7-15(3)8-10-17)21-23(29)18-14-19(26)16(4)13-20(18)31-24(21)25(28)30/h7-10,13-14,22H,5-6,11-12H2,1-4H3/t22-/m0/s1
InChIKeyHLCAOAUUEABFQJ-QFIPXVFZSA-N
XLogP4.95
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(diethylamino)ethyl]-7-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705311
7-chloro-2-[2-(diethylamino)ethyl]-6-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19134401
7-chloro-1-(3-chlorophenyl)-2-[3-(diethylamino)propyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19134467
(1S)-7-chloro-2-[3-(diethylamino)propyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2242481
7-chloro-2-[2-(dimethylamino)ethyl]-1-(4-ethoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19134388
(1S)-7-chloro-1-(4-chlorophenyl)-2-[3-(dimethylamino)propyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417719
2-butyl-7-chloro-6-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882297
7-bromo-1-(4-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705371
7-chloro-6-methyl-1-(4-propoxyphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882265
(1R)-1-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2008426
(1S)-2-[2-(diethylamino)ethyl]-6,7-dimethyl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41019804
7-chloro-2-(2-hydroxyethyl)-6-methyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882112

Frequently Asked Questions

What is the IUPAC name of (1S)-7-chloro-2-[2-(diethylamino)ethyl]-6-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-7-chloro-2-[2-(diethylamino)ethyl]-6-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 41417683) is (1S)-7-chloro-2-[2-(diethylamino)ethyl]-6-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-7-chloro-2-[2-(diethylamino)ethyl]-6-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-7-chloro-2-[2-(diethylamino)ethyl]-6-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCN(CC)CCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@@H]1c1ccc(C)cc1.
What is the InChIKey of (1S)-7-chloro-2-[2-(diethylamino)ethyl]-6-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is HLCAOAUUEABFQJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H27ClN2O3/c1-5-27(6-2)11-12-28-22(17-9-7-15(3)8-10-17)21-23(29)18-14-19(26)16(4)13-20(18)31-24(21)25(28)30/h7-10,13-14,22H,5-6,11-12H2,1-4H3/t22-/m0/s1.
What are the key properties of (1S)-7-chloro-2-[2-(diethylamino)ethyl]-6-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-7-chloro-2-[2-(diethylamino)ethyl]-6-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 438.96 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-chloro-2-[2-(diethylamino)ethyl]-6-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 41417683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).