7-chloro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C31H23ClN2O5 — CID 18819530

IUPAC7-chloro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cc(C)ccn2)ccc1OCc1ccccc1
InChIInChI=1S/C31H23ClN2O5/c1-18-12-13-33-26(14-18)34-28(27-29(35)22-16-21(32)9-11-23(22)39-30(27)31(34)36)20-8-10-24(25(15-20)37-2)38-17-19-6-4-3-5-7-19/h3-16,28H,17H2,1-2H3
InChIKeyHOKBOQUJNNCPKY-UHFFFAOYSA-N
MW538.99 g/mol
LogP6.49
Rot. Bonds6

About 7-chloro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18819530) has the molecular formula C31H23ClN2O5 and a molecular weight of 538.99 g/mol. Its IUPAC name is 7-chloro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18819530
Molecular FormulaC31H23ClN2O5
Molecular Weight538.99 g/mol
Exact Mass538.13
IUPAC Name7-chloro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cc(C)ccn2)ccc1OCc1ccccc1
InChIInChI=1S/C31H23ClN2O5/c1-18-12-13-33-26(14-18)34-28(27-29(35)22-16-21(32)9-11-23(22)39-30(27)31(34)36)20-8-10-24(25(15-20)37-2)38-17-19-6-4-3-5-7-19/h3-16,28H,17H2,1-2H3
InChIKeyHOKBOQUJNNCPKY-UHFFFAOYSA-N
XLogP6.49
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.99
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-chloro-2-(3,4-dimethylphenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853435
1-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819288
2-(5-chloro-2-pyridinyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819144
(1S)-7-chloro-2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2067920
1-(3-ethoxy-4-phenylmethoxyphenyl)-7-methyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708755
7-chloro-1-(3-methoxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4013762
7-chloro-2-(3,4-dimethylphenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853756
2-(4-methoxyphenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857791
2-(3-chlorophenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852440
1-(3,4-dimethoxyphenyl)-7-methyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3429192
7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709160
1-(3-ethoxy-4-phenylmethoxyphenyl)-7-methyl-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819299

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18819530) is 7-chloro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cc(C)ccn2)ccc1OCc1ccccc1.
What is the InChIKey of 7-chloro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is HOKBOQUJNNCPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23ClN2O5/c1-18-12-13-33-26(14-18)34-28(27-29(35)22-16-21(32)9-11-23(22)39-30(27)31(34)36)20-8-10-24(25(15-20)37-2)38-17-19-6-4-3-5-7-19/h3-16,28H,17H2,1-2H3.
What are the key properties of 7-chloro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 538.99 g/mol, XLogP of 6.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18819530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).