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

C28H25BrN2O5 — CID 18819700

IUPAC7-bromo-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2cc(C)ccn2)ccc1OCC(C)C
InChIInChI=1S/C28H25BrN2O5/c1-15(2)14-35-21-7-5-17(12-22(21)34-4)25-24-26(32)19-13-18(29)6-8-20(19)36-27(24)28(33)31(25)23-11-16(3)9-10-30-23/h5-13,15,25H,14H2,1-4H3
InChIKeyZSMVVXFKSJJNNC-UHFFFAOYSA-N
MW549.42 g/mol
LogP6.05
Rot. Bonds6

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

7-bromo-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18819700) has the molecular formula C28H25BrN2O5 and a molecular weight of 549.42 g/mol. Its IUPAC name is 7-bromo-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-bromo-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18819700
Molecular FormulaC28H25BrN2O5
Molecular Weight549.42 g/mol
Exact Mass548.09
IUPAC Name7-bromo-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2cc(C)ccn2)ccc1OCC(C)C
InChIInChI=1S/C28H25BrN2O5/c1-15(2)14-35-21-7-5-17(12-22(21)34-4)25-24-26(32)19-13-18(29)6-8-20(19)36-27(24)28(33)31(25)23-11-16(3)9-10-30-23/h5-13,15,25H,14H2,1-4H3
InChIKeyZSMVVXFKSJJNNC-UHFFFAOYSA-N
XLogP6.05
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.42
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853964
7-bromo-1-(3-methoxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3992895
7-bromo-1-(3-methoxy-4-pentoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708771
7-chloro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819530
7-bromo-1-(3,4-dimethoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819708
1-(3,4-dimethoxyphenyl)-7-methyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3429192
7-bromo-1-(4-butoxy-3-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819716
butyl 4-[7-bromo-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]benzoate
CID 18855293
(1S)-7-bromo-1-(3,4-dimethoxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40835653
(1R)-7-methyl-1-(4-methylphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7530316
(1R)-1-(4-hydroxy-3-methoxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 1401790
7-bromo-2-(3-chloro-4-methoxyphenyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854760

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-bromo-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18819700) is 7-bromo-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-bromo-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-bromo-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2cc(C)ccn2)ccc1OCC(C)C.
What is the InChIKey of 7-bromo-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is ZSMVVXFKSJJNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25BrN2O5/c1-15(2)14-35-21-7-5-17(12-22(21)34-4)25-24-26(32)19-13-18(29)6-8-20(19)36-27(24)28(33)31(25)23-11-16(3)9-10-30-23/h5-13,15,25H,14H2,1-4H3.
What are the key properties of 7-bromo-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-bromo-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 549.42 g/mol, XLogP of 6.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18819700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).