(1R)-7-chloro-2-[2-(dimethylamino)ethyl]-1-(furan-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C19H17ClN2O4 — CID 42066297

IUPAC(1R)-7-chloro-2-[2-(dimethylamino)ethyl]-1-(furan-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCN(C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccco1
InChIInChI=1S/C19H17ClN2O4/c1-21(2)7-8-22-16(14-4-3-9-25-14)15-17(23)12-10-11(20)5-6-13(12)26-18(15)19(22)24/h3-6,9-10,16H,7-8H2,1-2H3/t16-/m0/s1
InChIKeyAAXJKEKLUKWIDA-INIZCTEOSA-N
MW372.81 g/mol
LogP3.15
Rot. Bonds4

About (1R)-7-chloro-2-[2-(dimethylamino)ethyl]-1-(furan-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-7-chloro-2-[2-(dimethylamino)ethyl]-1-(furan-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 42066297) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is (1R)-7-chloro-2-[2-(dimethylamino)ethyl]-1-(furan-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-7-chloro-2-[2-(dimethylamino)ethyl]-1-(furan-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID42066297
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC Name(1R)-7-chloro-2-[2-(dimethylamino)ethyl]-1-(furan-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCN(C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccco1
InChIInChI=1S/C19H17ClN2O4/c1-21(2)7-8-22-16(14-4-3-9-25-14)15-17(23)12-10-11(20)5-6-13(12)26-18(15)19(22)24/h3-6,9-10,16H,7-8H2,1-2H3/t16-/m0/s1
InChIKeyAAXJKEKLUKWIDA-INIZCTEOSA-N
XLogP3.15
TPSA66.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-7-chloro-1-(3-chlorophenyl)-2-[2-(dimethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42066329
7-chloro-2-[2-(dimethylamino)ethyl]-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705831
7-bromo-1-(3-chlorophenyl)-2-[2-(dimethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705667
(1S)-7-chloro-1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42066309
7-chloro-2-[3-(dimethylamino)propyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4551176
(1S)-7-chloro-2-[3-(dimethylamino)propyl]-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40728678
(1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42066355
(1S)-1-(3-bromophenyl)-7-chloro-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2242514
(1S)-7-chloro-2-[3-(dimethylamino)propyl]-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2242541
2-[2-(dimethylamino)ethyl]-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705578
(1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40837577
7-chloro-2-[2-(dimethylamino)ethyl]-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2955646

Frequently Asked Questions

What is the IUPAC name of (1R)-7-chloro-2-[2-(dimethylamino)ethyl]-1-(furan-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-7-chloro-2-[2-(dimethylamino)ethyl]-1-(furan-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 42066297) is (1R)-7-chloro-2-[2-(dimethylamino)ethyl]-1-(furan-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-7-chloro-2-[2-(dimethylamino)ethyl]-1-(furan-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-7-chloro-2-[2-(dimethylamino)ethyl]-1-(furan-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CN(C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccco1.
What is the InChIKey of (1R)-7-chloro-2-[2-(dimethylamino)ethyl]-1-(furan-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is AAXJKEKLUKWIDA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c1-21(2)7-8-22-16(14-4-3-9-25-14)15-17(23)12-10-11(20)5-6-13(12)26-18(15)19(22)24/h3-6,9-10,16H,7-8H2,1-2H3/t16-/m0/s1.
What are the key properties of (1R)-7-chloro-2-[2-(dimethylamino)ethyl]-1-(furan-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-7-chloro-2-[2-(dimethylamino)ethyl]-1-(furan-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 372.81 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-chloro-2-[2-(dimethylamino)ethyl]-1-(furan-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 42066297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).