7-chloro-6-methyl-1-(4-phenylmethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

C25H18ClNO4 — CID 19130690

IUPAC7-chloro-6-methyl-1-(4-phenylmethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cc2oc3c(c(=O)c2cc1Cl)C(c1ccc(OCc2ccccc2)cc1)NC3=O
InChIInChI=1S/C25H18ClNO4/c1-14-11-20-18(12-19(14)26)23(28)21-22(27-25(29)24(21)31-20)16-7-9-17(10-8-16)30-13-15-5-3-2-4-6-15/h2-12,22H,13H2,1H3,(H,27,29)
InChIKeySBFKDQLBTFULCN-UHFFFAOYSA-N
MW431.88 g/mol
LogP5.17
Rot. Bonds4

About 7-chloro-6-methyl-1-(4-phenylmethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

7-chloro-6-methyl-1-(4-phenylmethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19130690) has the molecular formula C25H18ClNO4 and a molecular weight of 431.88 g/mol. Its IUPAC name is 7-chloro-6-methyl-1-(4-phenylmethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-6-methyl-1-(4-phenylmethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
PubChem CID19130690
Molecular FormulaC25H18ClNO4
Molecular Weight431.88 g/mol
Exact Mass431.09
IUPAC Name7-chloro-6-methyl-1-(4-phenylmethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cc2oc3c(c(=O)c2cc1Cl)C(c1ccc(OCc2ccccc2)cc1)NC3=O
InChIInChI=1S/C25H18ClNO4/c1-14-11-20-18(12-19(14)26)23(28)21-22(27-25(29)24(21)31-20)16-7-9-17(10-8-16)30-13-15-5-3-2-4-6-15/h2-12,22H,13H2,1H3,(H,27,29)
InChIKeySBFKDQLBTFULCN-UHFFFAOYSA-N
XLogP5.17
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.88
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-butoxyphenyl)-7-chloro-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130688
7-chloro-6-methyl-1-(4-pentoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130694
5,6-dimethyl-1-(4-phenylmethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130794
1-(4-bromophenyl)-7-chloro-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130677
7-chloro-6-methyl-1-[3-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130706
2-[4-(6,7-dimethyl-3,9-dioxo-1,2-dihydrochromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide
CID 19130767
7-chloro-1-(4-ethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130475
2-benzyl-7-chloro-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882527
1-(4-butoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130385
7-chloro-2-(2-hydroxyethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882098
6,7-dimethyl-2-(oxolan-2-ylmethyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820432
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-6-methyl-1-(4-phenylmethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-6-methyl-1-(4-phenylmethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (CID 19130690) is 7-chloro-6-methyl-1-(4-phenylmethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-6-methyl-1-(4-phenylmethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-6-methyl-1-(4-phenylmethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is Cc1cc2oc3c(c(=O)c2cc1Cl)C(c1ccc(OCc2ccccc2)cc1)NC3=O.
What is the InChIKey of 7-chloro-6-methyl-1-(4-phenylmethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is SBFKDQLBTFULCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClNO4/c1-14-11-20-18(12-19(14)26)23(28)21-22(27-25(29)24(21)31-20)16-7-9-17(10-8-16)30-13-15-5-3-2-4-6-15/h2-12,22H,13H2,1H3,(H,27,29).
What are the key properties of 7-chloro-6-methyl-1-(4-phenylmethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-6-methyl-1-(4-phenylmethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 431.88 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-methyl-1-(4-phenylmethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19130690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).