(1S)-1-(2,3-dimethoxyphenyl)-6-methoxy-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H30N2O7 — CID 28835626

IUPAC(1S)-1-(2,3-dimethoxyphenyl)-6-methoxy-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN1CCOCC1)[C@H]3c1cccc(OC)c1OC
InChIInChI=1S/C27H30N2O7/c1-32-17-8-9-18-21(16-17)36-26-22(24(18)30)23(19-6-4-7-20(33-2)25(19)34-3)29(27(26)31)11-5-10-28-12-14-35-15-13-28/h4,6-9,16,23H,5,10-15H2,1-3H3/t23-/m0/s1
InChIKeyCAZDJSWSSDCBDN-QHCPKHFHSA-N
MW494.54 g/mol
LogP3.09
Rot. Bonds8

About (1S)-1-(2,3-dimethoxyphenyl)-6-methoxy-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1S)-1-(2,3-dimethoxyphenyl)-6-methoxy-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 28835626) has the molecular formula C27H30N2O7 and a molecular weight of 494.54 g/mol. Its IUPAC name is (1S)-1-(2,3-dimethoxyphenyl)-6-methoxy-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-1-(2,3-dimethoxyphenyl)-6-methoxy-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID28835626
Molecular FormulaC27H30N2O7
Molecular Weight494.54 g/mol
Exact Mass494.21
IUPAC Name(1S)-1-(2,3-dimethoxyphenyl)-6-methoxy-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN1CCOCC1)[C@H]3c1cccc(OC)c1OC
InChIInChI=1S/C27H30N2O7/c1-32-17-8-9-18-21(16-17)36-26-22(24(18)30)23(19-6-4-7-20(33-2)25(19)34-3)29(27(26)31)11-5-10-28-12-14-35-15-13-28/h4,6-9,16,23H,5,10-15H2,1-3H3/t23-/m0/s1
InChIKeyCAZDJSWSSDCBDN-QHCPKHFHSA-N
XLogP3.09
TPSA90.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.54
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(1R)-6-methoxy-1-(2-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28835601
1-(2,5-dimethoxyphenyl)-6-methoxy-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4972805
(1R)-6-methoxy-1-(2-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28835761
(1S)-6-methoxy-1-(4-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28835595
(1S)-1-(2,5-dimethoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2002133
(1S)-6-methoxy-2-(3-morpholin-4-ylpropyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28835552
(1R)-1-(4-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2008057
7-ethyl-2-(3-morpholin-4-ylpropyl)-1-(2,3,4-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472938
(1R)-1-(4-bromophenyl)-6-methoxy-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28835689
1-(3-ethoxyphenyl)-6-methoxy-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472278
2-[3-(diethylamino)propyl]-6-methoxy-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472318
13-(2-methoxyphenyl)-14-(3-morpholin-4-ylpropyl)-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione
CID 19134186

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,3-dimethoxyphenyl)-6-methoxy-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-1-(2,3-dimethoxyphenyl)-6-methoxy-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 28835626) is (1S)-1-(2,3-dimethoxyphenyl)-6-methoxy-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-1-(2,3-dimethoxyphenyl)-6-methoxy-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-1-(2,3-dimethoxyphenyl)-6-methoxy-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN1CCOCC1)[C@H]3c1cccc(OC)c1OC.
What is the InChIKey of (1S)-1-(2,3-dimethoxyphenyl)-6-methoxy-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is CAZDJSWSSDCBDN-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H30N2O7/c1-32-17-8-9-18-21(16-17)36-26-22(24(18)30)23(19-6-4-7-20(33-2)25(19)34-3)29(27(26)31)11-5-10-28-12-14-35-15-13-28/h4,6-9,16,23H,5,10-15H2,1-3H3/t23-/m0/s1.
What are the key properties of (1S)-1-(2,3-dimethoxyphenyl)-6-methoxy-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-1-(2,3-dimethoxyphenyl)-6-methoxy-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 494.54 g/mol, XLogP of 3.09, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,3-dimethoxyphenyl)-6-methoxy-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 28835626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).