6,7-dimethyl-1-(4-phenylmethoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C31H24N2O4 — CID 4708830

IUPAC6,7-dimethyl-1-(4-phenylmethoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cc2oc3c(c(=O)c2cc1C)C(c1ccc(OCc2ccccc2)cc1)N(c1ccccn1)C3=O
InChIInChI=1S/C31H24N2O4/c1-19-16-24-25(17-20(19)2)37-30-27(29(24)34)28(33(31(30)35)26-10-6-7-15-32-26)22-11-13-23(14-12-22)36-18-21-8-4-3-5-9-21/h3-17,28H,18H2,1-2H3
InChIKeyBFZWEKIWIBRTOG-UHFFFAOYSA-N
MW488.54 g/mol
LogP6.13
Rot. Bonds5

About 6,7-dimethyl-1-(4-phenylmethoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

6,7-dimethyl-1-(4-phenylmethoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4708830) has the molecular formula C31H24N2O4 and a molecular weight of 488.54 g/mol. Its IUPAC name is 6,7-dimethyl-1-(4-phenylmethoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name6,7-dimethyl-1-(4-phenylmethoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4708830
Molecular FormulaC31H24N2O4
Molecular Weight488.54 g/mol
Exact Mass488.17
IUPAC Name6,7-dimethyl-1-(4-phenylmethoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cc2oc3c(c(=O)c2cc1C)C(c1ccc(OCc2ccccc2)cc1)N(c1ccccn1)C3=O
InChIInChI=1S/C31H24N2O4/c1-19-16-24-25(17-20(19)2)37-30-27(29(24)34)28(33(31(30)35)26-10-6-7-15-32-26)22-11-13-23(14-12-22)36-18-21-8-4-3-5-9-21/h3-17,28H,18H2,1-2H3
InChIKeyBFZWEKIWIBRTOG-UHFFFAOYSA-N
XLogP6.13
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.54
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6,7-dimethyl-1-(4-phenylmethoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

(1S)-1-(4-ethoxyphenyl)-6,7-dimethyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40774186
1-(4-ethylphenyl)-6,7-dimethyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708827
2-(3-bromophenyl)-6,7-dimethyl-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856752
7-methyl-2-(5-methyl-2-pyridinyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708972
1-(3-methoxyphenyl)-6,7-dimethyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3548049
7-bromo-1-(4-ethoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708772
1-(3-ethoxy-4-phenylmethoxyphenyl)-7-methyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708755
6,7-dimethyl-2-phenyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856685
6,7-dimethyl-2-(oxolan-2-ylmethyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820432
prop-2-enyl 2-[6,7-dimethyl-3,9-dioxo-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 4708016
1-(3-ethoxy-4-phenylmethoxyphenyl)-6,7-dimethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708123
7-bromo-1-(4-butoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708781

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-1-(4-phenylmethoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 6,7-dimethyl-1-(4-phenylmethoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4708830) is 6,7-dimethyl-1-(4-phenylmethoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 6,7-dimethyl-1-(4-phenylmethoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 6,7-dimethyl-1-(4-phenylmethoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cc2oc3c(c(=O)c2cc1C)C(c1ccc(OCc2ccccc2)cc1)N(c1ccccn1)C3=O.
What is the InChIKey of 6,7-dimethyl-1-(4-phenylmethoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is BFZWEKIWIBRTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N2O4/c1-19-16-24-25(17-20(19)2)37-30-27(29(24)34)28(33(31(30)35)26-10-6-7-15-32-26)22-11-13-23(14-12-22)36-18-21-8-4-3-5-9-21/h3-17,28H,18H2,1-2H3.
What are the key properties of 6,7-dimethyl-1-(4-phenylmethoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
6,7-dimethyl-1-(4-phenylmethoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 488.54 g/mol, XLogP of 6.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-1-(4-phenylmethoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4708830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).