(1S)-2-[3-(diethylamino)propyl]-1-(2-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H32N2O4 — CID 41417853

IUPAC(1S)-2-[3-(diethylamino)propyl]-1-(2-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCN(CC)CCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1ccccc1OC
InChIInChI=1S/C27H32N2O4/c1-6-28(7-2)13-10-14-29-24(19-11-8-9-12-21(19)32-5)23-25(30)20-15-17(3)18(4)16-22(20)33-26(23)27(29)31/h8-9,11-12,15-16,24H,6-7,10,13-14H2,1-5H3/t24-/m0/s1
InChIKeyPCTLDJGQWFMYHR-DEOSSOPVSA-N
MW448.56 g/mol
LogP4.70
Rot. Bonds8

About (1S)-2-[3-(diethylamino)propyl]-1-(2-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1S)-2-[3-(diethylamino)propyl]-1-(2-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 41417853) has the molecular formula C27H32N2O4 and a molecular weight of 448.56 g/mol. Its IUPAC name is (1S)-2-[3-(diethylamino)propyl]-1-(2-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-2-[3-(diethylamino)propyl]-1-(2-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID41417853
Molecular FormulaC27H32N2O4
Molecular Weight448.56 g/mol
Exact Mass448.24
IUPAC Name(1S)-2-[3-(diethylamino)propyl]-1-(2-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCN(CC)CCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1ccccc1OC
InChIInChI=1S/C27H32N2O4/c1-6-28(7-2)13-10-14-29-24(19-11-8-9-12-21(19)32-5)23-25(30)20-15-17(3)18(4)16-22(20)33-26(23)27(29)31/h8-9,11-12,15-16,24H,6-7,10,13-14H2,1-5H3/t24-/m0/s1
InChIKeyPCTLDJGQWFMYHR-DEOSSOPVSA-N
XLogP4.70
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417811
2-[3-(diethylamino)propyl]-6-methoxy-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472318
(1R)-2-[3-(diethylamino)propyl]-1-(2,5-dimethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 97183162
(1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42066355
(1R)-1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27308877
(1S)-2-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2026985
2-[2-(dimethylamino)ethyl]-7-fluoro-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4894342
7-chloro-1-(3-chlorophenyl)-2-[3-(diethylamino)propyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19134467
2-[3-(dimethylamino)propyl]-1-(4-ethoxy-3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5082658
(1S)-2-[2-(diethylamino)ethyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2011447
(1R)-2-[3-(dimethylamino)propyl]-6,7-dimethyl-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41019845
(1S)-1-(2-fluorophenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2143695

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[3-(diethylamino)propyl]-1-(2-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-2-[3-(diethylamino)propyl]-1-(2-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 41417853) is (1S)-2-[3-(diethylamino)propyl]-1-(2-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-2-[3-(diethylamino)propyl]-1-(2-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-2-[3-(diethylamino)propyl]-1-(2-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCN(CC)CCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1ccccc1OC.
What is the InChIKey of (1S)-2-[3-(diethylamino)propyl]-1-(2-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is PCTLDJGQWFMYHR-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H32N2O4/c1-6-28(7-2)13-10-14-29-24(19-11-8-9-12-21(19)32-5)23-25(30)20-15-17(3)18(4)16-22(20)33-26(23)27(29)31/h8-9,11-12,15-16,24H,6-7,10,13-14H2,1-5H3/t24-/m0/s1.
What are the key properties of (1S)-2-[3-(diethylamino)propyl]-1-(2-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-2-[3-(diethylamino)propyl]-1-(2-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 448.56 g/mol, XLogP of 4.70, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[3-(diethylamino)propyl]-1-(2-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 41417853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).