2-butyl-7-chloro-6-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C22H20ClNO3 — CID 18882297

IUPAC2-butyl-7-chloro-6-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2C1c1ccccc1
InChIInChI=1S/C22H20ClNO3/c1-3-4-10-24-19(14-8-6-5-7-9-14)18-20(25)15-12-16(23)13(2)11-17(15)27-21(18)22(24)26/h5-9,11-12,19H,3-4,10H2,1-2H3
InChIKeyWJXPYHATJQYNCK-UHFFFAOYSA-N
MW381.86 g/mol
LogP5.10
Rot. Bonds4

About 2-butyl-7-chloro-6-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-butyl-7-chloro-6-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18882297) has the molecular formula C22H20ClNO3 and a molecular weight of 381.86 g/mol. Its IUPAC name is 2-butyl-7-chloro-6-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-butyl-7-chloro-6-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18882297
Molecular FormulaC22H20ClNO3
Molecular Weight381.86 g/mol
Exact Mass381.11
IUPAC Name2-butyl-7-chloro-6-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2C1c1ccccc1
InChIInChI=1S/C22H20ClNO3/c1-3-4-10-24-19(14-8-6-5-7-9-14)18-20(25)15-12-16(23)13(2)11-17(15)27-21(18)22(24)26/h5-9,11-12,19H,3-4,10H2,1-2H3
InChIKeyWJXPYHATJQYNCK-UHFFFAOYSA-N
XLogP5.10
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.86
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-butoxyphenyl)-7-chloro-2-(3-hydroxypropyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882126
7-chloro-1-(3-chlorophenyl)-2-[3-(diethylamino)propyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19134467
2-butyl-7-chloro-1-(4-ethoxy-3-methoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882306
(1S)-7-chloro-1-(4-chlorophenyl)-2-[3-(dimethylamino)propyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417719
7-chloro-6-methyl-1-(3-nitrophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19134582
7-chloro-1-(3-ethoxy-4-phenylmethoxyphenyl)-6-methyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882388
7-chloro-6-methyl-1-(4-propoxyphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882265
7-chloro-6-methyl-1-[3-(3-methylbutoxy)phenyl]-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882384
7-chloro-6-methyl-2-propyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19134579
2-pentyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19113827
(1S)-7-chloro-2-(2-hydroxyethyl)-6-methyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27316859
(1S)-7-chloro-2-[2-(diethylamino)ethyl]-6-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417683

Frequently Asked Questions

What is the IUPAC name of 2-butyl-7-chloro-6-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-butyl-7-chloro-6-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18882297) is 2-butyl-7-chloro-6-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-butyl-7-chloro-6-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-butyl-7-chloro-6-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2C1c1ccccc1.
What is the InChIKey of 2-butyl-7-chloro-6-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is WJXPYHATJQYNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO3/c1-3-4-10-24-19(14-8-6-5-7-9-14)18-20(25)15-12-16(23)13(2)11-17(15)27-21(18)22(24)26/h5-9,11-12,19H,3-4,10H2,1-2H3.
What are the key properties of 2-butyl-7-chloro-6-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-butyl-7-chloro-6-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 381.86 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-7-chloro-6-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18882297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).