7-chloro-2-(3-methoxypropyl)-6-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C21H19ClN2O4 — CID 19134606

IUPAC7-chloro-2-(3-methoxypropyl)-6-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOCCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2C1c1ccccn1
InChIInChI=1S/C21H19ClN2O4/c1-12-10-16-13(11-14(12)22)19(25)17-18(15-6-3-4-7-23-15)24(8-5-9-27-2)21(26)20(17)28-16/h3-4,6-7,10-11,18H,5,8-9H2,1-2H3
InChIKeyTYPKJNGDEBTYTI-UHFFFAOYSA-N
MW398.85 g/mol
LogP3.73
Rot. Bonds5

About 7-chloro-2-(3-methoxypropyl)-6-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-2-(3-methoxypropyl)-6-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19134606) has the molecular formula C21H19ClN2O4 and a molecular weight of 398.85 g/mol. Its IUPAC name is 7-chloro-2-(3-methoxypropyl)-6-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-2-(3-methoxypropyl)-6-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID19134606
Molecular FormulaC21H19ClN2O4
Molecular Weight398.85 g/mol
Exact Mass398.10
IUPAC Name7-chloro-2-(3-methoxypropyl)-6-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOCCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2C1c1ccccn1
InChIInChI=1S/C21H19ClN2O4/c1-12-10-16-13(11-14(12)22)19(25)17-18(15-6-3-4-7-23-15)24(8-5-9-27-2)21(26)20(17)28-16/h3-4,6-7,10-11,18H,5,8-9H2,1-2H3
InChIKeyTYPKJNGDEBTYTI-UHFFFAOYSA-N
XLogP3.73
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-chloro-2-(2-methoxyethyl)-6-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19134600
7-chloro-6-methyl-2-propyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19134579
7-chloro-6-methyl-2-(2-phenylethyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19134621
7-chloro-2-[2-(diethylamino)ethyl]-6-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19134401
7-ethyl-2-(3-methoxypropyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23473063
7-chloro-2-(2-methoxyethyl)-6-methyl-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19134602
(1R)-7-chloro-6-methyl-1,2-dipyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7620958
7-chloro-6-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19134304
2-butyl-7-chloro-6-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882297
7-chloro-2-(2-methoxyethyl)-1-(4-methoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882178
7-chloro-1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-(3-methoxypropyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882237
7-chloro-2-(2-methoxyethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882185

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(3-methoxypropyl)-6-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-2-(3-methoxypropyl)-6-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 19134606) is 7-chloro-2-(3-methoxypropyl)-6-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-2-(3-methoxypropyl)-6-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-2-(3-methoxypropyl)-6-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is COCCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2C1c1ccccn1.
What is the InChIKey of 7-chloro-2-(3-methoxypropyl)-6-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is TYPKJNGDEBTYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O4/c1-12-10-16-13(11-14(12)22)19(25)17-18(15-6-3-4-7-23-15)24(8-5-9-27-2)21(26)20(17)28-16/h3-4,6-7,10-11,18H,5,8-9H2,1-2H3.
What are the key properties of 7-chloro-2-(3-methoxypropyl)-6-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-2-(3-methoxypropyl)-6-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 398.85 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(3-methoxypropyl)-6-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19134606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).