(1R)-2-[3-(diethylamino)propyl]-1-(2,5-dimethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H32N2O5 — CID 97183162

IUPAC(1R)-2-[3-(diethylamino)propyl]-1-(2,5-dimethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCN(CC)CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1cc(OC)ccc1OC
InChIInChI=1S/C27H32N2O5/c1-6-28(7-2)13-8-14-29-24(19-16-18(32-4)10-12-21(19)33-5)23-25(30)20-15-17(3)9-11-22(20)34-26(23)27(29)31/h9-12,15-16,24H,6-8,13-14H2,1-5H3/t24-/m1/s1
InChIKeyFKQKMZMYYRTAQT-XMMPIXPASA-N
MW464.56 g/mol
LogP4.40
Rot. Bonds9

About (1R)-2-[3-(diethylamino)propyl]-1-(2,5-dimethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-2-[3-(diethylamino)propyl]-1-(2,5-dimethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 97183162) has the molecular formula C27H32N2O5 and a molecular weight of 464.56 g/mol. Its IUPAC name is (1R)-2-[3-(diethylamino)propyl]-1-(2,5-dimethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-2-[3-(diethylamino)propyl]-1-(2,5-dimethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID97183162
Molecular FormulaC27H32N2O5
Molecular Weight464.56 g/mol
Exact Mass464.23
IUPAC Name(1R)-2-[3-(diethylamino)propyl]-1-(2,5-dimethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCN(CC)CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1cc(OC)ccc1OC
InChIInChI=1S/C27H32N2O5/c1-6-28(7-2)13-8-14-29-24(19-16-18(32-4)10-12-21(19)33-5)23-25(30)20-15-17(3)9-11-22(20)34-26(23)27(29)31/h9-12,15-16,24H,6-8,13-14H2,1-5H3/t24-/m1/s1
InChIKeyFKQKMZMYYRTAQT-XMMPIXPASA-N
XLogP4.40
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-2-[3-(diethylamino)propyl]-1-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42066421
(1R)-2-[3-(diethylamino)propyl]-1-(4-ethoxy-3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42066435
2-[3-(diethylamino)propyl]-6-methoxy-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472318
(1R)-1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7177341
(1S)-2-[3-(diethylamino)propyl]-1-(2-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417853
1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[2-(diethylamino)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705338
(1S)-7-chloro-1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42066309
2-[2-(diethylamino)ethyl]-7-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705311
2-(3-hydroxypropyl)-1-(4-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3780511
(1S)-7-chloro-2-[3-(diethylamino)propyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2242481
(1R)-2-[2-(dimethylamino)ethyl]-1-(4-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7196564
(1R)-7-methyl-2-propyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42414931

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[3-(diethylamino)propyl]-1-(2,5-dimethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-2-[3-(diethylamino)propyl]-1-(2,5-dimethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 97183162) is (1R)-2-[3-(diethylamino)propyl]-1-(2,5-dimethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-2-[3-(diethylamino)propyl]-1-(2,5-dimethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-2-[3-(diethylamino)propyl]-1-(2,5-dimethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCN(CC)CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1cc(OC)ccc1OC.
What is the InChIKey of (1R)-2-[3-(diethylamino)propyl]-1-(2,5-dimethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is FKQKMZMYYRTAQT-XMMPIXPASA-N. The full InChI is InChI=1S/C27H32N2O5/c1-6-28(7-2)13-8-14-29-24(19-16-18(32-4)10-12-21(19)33-5)23-25(30)20-15-17(3)9-11-22(20)34-26(23)27(29)31/h9-12,15-16,24H,6-8,13-14H2,1-5H3/t24-/m1/s1.
What are the key properties of (1R)-2-[3-(diethylamino)propyl]-1-(2,5-dimethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-2-[3-(diethylamino)propyl]-1-(2,5-dimethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 464.56 g/mol, XLogP of 4.40, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[3-(diethylamino)propyl]-1-(2,5-dimethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 97183162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).