1-[(E)-(6-ethoxy-2,3-dihydrochromen-4-ylidene)amino]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazolidine-2,4-dione

C22H31N5O4 — CID 44593030

IUPAC1-[(E)-(6-ethoxy-2,3-dihydrochromen-4-ylidene)amino]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
SMILESCCOc1ccc2c(c1)/C(=N/N1CC(=O)N(CCCN3CCN(C)CC3)C1=O)CCO2
InChIInChI=1S/C22H31N5O4/c1-3-30-17-5-6-20-18(15-17)19(7-14-31-20)23-27-16-21(28)26(22(27)29)9-4-8-25-12-10-24(2)11-13-25/h5-6,15H,3-4,7-14,16H2,1-2H3/b23-19+
InChIKeyCGVMLFZWFFLDTB-FCDQGJHFSA-N
MW429.52 g/mol
LogP1.47
Rot. Bonds7

About 1-[(E)-(6-ethoxy-2,3-dihydrochromen-4-ylidene)amino]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazolidine-2,4-dione

1-[(E)-(6-ethoxy-2,3-dihydrochromen-4-ylidene)amino]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazolidine-2,4-dione (PubChem CID 44593030) has the molecular formula C22H31N5O4 and a molecular weight of 429.52 g/mol. Its IUPAC name is 1-[(E)-(6-ethoxy-2,3-dihydrochromen-4-ylidene)amino]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(E)-(6-ethoxy-2,3-dihydrochromen-4-ylidene)amino]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
PubChem CID44593030
Molecular FormulaC22H31N5O4
Molecular Weight429.52 g/mol
Exact Mass429.24
IUPAC Name1-[(E)-(6-ethoxy-2,3-dihydrochromen-4-ylidene)amino]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
SMILESCCOc1ccc2c(c1)/C(=N/N1CC(=O)N(CCCN3CCN(C)CC3)C1=O)CCO2
InChIInChI=1S/C22H31N5O4/c1-3-30-17-5-6-20-18(15-17)19(7-14-31-20)23-27-16-21(28)26(22(27)29)9-4-8-25-12-10-24(2)11-13-25/h5-6,15H,3-4,7-14,16H2,1-2H3/b23-19+
InChIKeyCGVMLFZWFFLDTB-FCDQGJHFSA-N
XLogP1.47
TPSA77.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(6-ethoxy-2,3-dihydrochromen-4-ylidene)amino]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[(E)-(6-ethoxy-2,3-dihydrochromen-4-ylidene)amino]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazolidine-2,4-dione (CID 44593030) is 1-[(E)-(6-ethoxy-2,3-dihydrochromen-4-ylidene)amino]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(E)-(6-ethoxy-2,3-dihydrochromen-4-ylidene)amino]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(E)-(6-ethoxy-2,3-dihydrochromen-4-ylidene)amino]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazolidine-2,4-dione is CCOc1ccc2c(c1)/C(=N/N1CC(=O)N(CCCN3CCN(C)CC3)C1=O)CCO2.
What is the InChIKey of 1-[(E)-(6-ethoxy-2,3-dihydrochromen-4-ylidene)amino]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazolidine-2,4-dione?
The InChIKey is CGVMLFZWFFLDTB-FCDQGJHFSA-N. The full InChI is InChI=1S/C22H31N5O4/c1-3-30-17-5-6-20-18(15-17)19(7-14-31-20)23-27-16-21(28)26(22(27)29)9-4-8-25-12-10-24(2)11-13-25/h5-6,15H,3-4,7-14,16H2,1-2H3/b23-19+.
What are the key properties of 1-[(E)-(6-ethoxy-2,3-dihydrochromen-4-ylidene)amino]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazolidine-2,4-dione?
1-[(E)-(6-ethoxy-2,3-dihydrochromen-4-ylidene)amino]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazolidine-2,4-dione has a molecular weight of 429.52 g/mol, XLogP of 1.47, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(6-ethoxy-2,3-dihydrochromen-4-ylidene)amino]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 44593030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).