2-[3-(dimethylamino)propyl]-1-(4-hydroxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H24N2O4 — CID 15991372

IUPAC2-[3-(dimethylamino)propyl]-1-(4-hydroxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc2oc3c(c(=O)c2c1)C(c1ccc(O)cc1)N(CCCN(C)C)C3=O
InChIInChI=1S/C23H24N2O4/c1-14-5-10-18-17(13-14)21(27)19-20(15-6-8-16(26)9-7-15)25(12-4-11-24(2)3)23(28)22(19)29-18/h5-10,13,20,26H,4,11-12H2,1-3H3
InChIKeyOLRYJTMDYGFHOE-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.30
Rot. Bonds5

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

2-[3-(dimethylamino)propyl]-1-(4-hydroxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 15991372) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl]-1-(4-hydroxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl]-1-(4-hydroxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID15991372
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name2-[3-(dimethylamino)propyl]-1-(4-hydroxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc2oc3c(c(=O)c2c1)C(c1ccc(O)cc1)N(CCCN(C)C)C3=O
InChIInChI=1S/C23H24N2O4/c1-14-5-10-18-17(13-14)21(27)19-20(15-6-8-16(26)9-7-15)25(12-4-11-24(2)3)23(28)22(19)29-18/h5-10,13,20,26H,4,11-12H2,1-3H3
InChIKeyOLRYJTMDYGFHOE-UHFFFAOYSA-N
XLogP3.30
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[3,9-dioxo-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
CID 663437
N-[(4-ethylphenyl)methyl]-N-methyl-4-oxochromene-2-carboxamide
CID 9508162
6-methyl-N-(4-methylbenzyl)-4-oxo-4H-chromene-2-carboxamide
CID 16013334
7-Fluoro-1-phenyl-2-(tetrahydrofuran-2-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 663458
2-(2-(Dimethylamino)ethyl)-1-(4-fluorophenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 663476
2-(3-(Diethylamino)propyl)-1-(2,5-dimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 663590
1-(3-Bromophenyl)-2-(2-(dimethylamino)ethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 663694
2-[3-(Morpholin-4-yl)propyl]-1-[4-(propan-2-yloxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 663700
2-(2-(Diethylamino)ethyl)-1-phenyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 663940
1-(4-Methoxyphenyl)-2-(tetrahydrofuran-2-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 664040
2-(2-(Diethylamino)ethyl)-1-(p-tolyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 664441
1-(2,3-Dimethoxyphenyl)-2-(3-(dimethylamino)propyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 664531

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl]-1-(4-hydroxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-[3-(dimethylamino)propyl]-1-(4-hydroxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 15991372) is 2-[3-(dimethylamino)propyl]-1-(4-hydroxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-[3-(dimethylamino)propyl]-1-(4-hydroxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-[3-(dimethylamino)propyl]-1-(4-hydroxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc2oc3c(c(=O)c2c1)C(c1ccc(O)cc1)N(CCCN(C)C)C3=O.
What is the InChIKey of 2-[3-(dimethylamino)propyl]-1-(4-hydroxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is OLRYJTMDYGFHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-14-5-10-18-17(13-14)21(27)19-20(15-6-8-16(26)9-7-15)25(12-4-11-24(2)3)23(28)22(19)29-18/h5-10,13,20,26H,4,11-12H2,1-3H3.
What are the key properties of 2-[3-(dimethylamino)propyl]-1-(4-hydroxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-[3-(dimethylamino)propyl]-1-(4-hydroxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 392.46 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl]-1-(4-hydroxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 15991372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).