1-[4-[7-(dimethylamino)-4-methyl-2-oxochromen-3-yl]phenyl]pyrrole-2,5-dione

C22H18N2O4 — CID 18348307

IUPAC1-[4-[7-(dimethylamino)-4-methyl-2-oxochromen-3-yl]phenyl]pyrrole-2,5-dione
SMILESCc1c(-c2ccc(N3C(=O)C=CC3=O)cc2)c(=O)oc2cc(N(C)C)ccc12
InChIInChI=1S/C22H18N2O4/c1-13-17-9-8-16(23(2)3)12-18(17)28-22(27)21(13)14-4-6-15(7-5-14)24-19(25)10-11-20(24)26/h4-12H,1-3H3
InChIKeyUQSOOQVZIRGVBL-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.26
Rot. Bonds3

About 1-[4-[7-(dimethylamino)-4-methyl-2-oxochromen-3-yl]phenyl]pyrrole-2,5-dione

1-[4-[7-(dimethylamino)-4-methyl-2-oxochromen-3-yl]phenyl]pyrrole-2,5-dione (PubChem CID 18348307) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 1-[4-[7-(dimethylamino)-4-methyl-2-oxochromen-3-yl]phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-[7-(dimethylamino)-4-methyl-2-oxochromen-3-yl]phenyl]pyrrole-2,5-dione
PubChem CID18348307
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name1-[4-[7-(dimethylamino)-4-methyl-2-oxochromen-3-yl]phenyl]pyrrole-2,5-dione
SMILESCc1c(-c2ccc(N3C(=O)C=CC3=O)cc2)c(=O)oc2cc(N(C)C)ccc12
InChIInChI=1S/C22H18N2O4/c1-13-17-9-8-16(23(2)3)12-18(17)28-22(27)21(13)14-4-6-15(7-5-14)24-19(25)10-11-20(24)26/h4-12H,1-3H3
InChIKeyUQSOOQVZIRGVBL-UHFFFAOYSA-N
XLogP3.26
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-(dimethylamino)-4-methyl-2-oxochromen-3-yl]phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-[7-(dimethylamino)-4-methyl-2-oxochromen-3-yl]phenyl]pyrrole-2,5-dione (CID 18348307) is 1-[4-[7-(dimethylamino)-4-methyl-2-oxochromen-3-yl]phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-[7-(dimethylamino)-4-methyl-2-oxochromen-3-yl]phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-[7-(dimethylamino)-4-methyl-2-oxochromen-3-yl]phenyl]pyrrole-2,5-dione is Cc1c(-c2ccc(N3C(=O)C=CC3=O)cc2)c(=O)oc2cc(N(C)C)ccc12.
What is the InChIKey of 1-[4-[7-(dimethylamino)-4-methyl-2-oxochromen-3-yl]phenyl]pyrrole-2,5-dione?
The InChIKey is UQSOOQVZIRGVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-13-17-9-8-16(23(2)3)12-18(17)28-22(27)21(13)14-4-6-15(7-5-14)24-19(25)10-11-20(24)26/h4-12H,1-3H3.
What are the key properties of 1-[4-[7-(dimethylamino)-4-methyl-2-oxochromen-3-yl]phenyl]pyrrole-2,5-dione?
1-[4-[7-(dimethylamino)-4-methyl-2-oxochromen-3-yl]phenyl]pyrrole-2,5-dione has a molecular weight of 374.40 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-(dimethylamino)-4-methyl-2-oxochromen-3-yl]phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 18348307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).