7-[2-[bis(2-aminoethyl)amino]ethylamino]-4-methylchromen-2-one

C16H24N4O2 — CID 23625608

IUPAC7-[2-[bis(2-aminoethyl)amino]ethylamino]-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(NCCN(CCN)CCN)ccc12
InChIInChI=1S/C16H24N4O2/c1-12-10-16(21)22-15-11-13(2-3-14(12)15)19-6-9-20(7-4-17)8-5-18/h2-3,10-11,19H,4-9,17-18H2,1H3
InChIKeyAOLVSWDHNWQXPJ-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.73
Rot. Bonds8

About 7-[2-[bis(2-aminoethyl)amino]ethylamino]-4-methylchromen-2-one

7-[2-[bis(2-aminoethyl)amino]ethylamino]-4-methylchromen-2-one (PubChem CID 23625608) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 7-[2-[bis(2-aminoethyl)amino]ethylamino]-4-methylchromen-2-one.

Molecular Properties

Compound Name7-[2-[bis(2-aminoethyl)amino]ethylamino]-4-methylchromen-2-one
PubChem CID23625608
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name7-[2-[bis(2-aminoethyl)amino]ethylamino]-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(NCCN(CCN)CCN)ccc12
InChIInChI=1S/C16H24N4O2/c1-12-10-16(21)22-15-11-13(2-3-14(12)15)19-6-9-20(7-4-17)8-5-18/h2-3,10-11,19H,4-9,17-18H2,1H3
InChIKeyAOLVSWDHNWQXPJ-UHFFFAOYSA-N
XLogP0.73
TPSA97.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-[2-[bis(2-aminoethyl)amino]ethylamino]-4-methylchromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[2-[bis(2-aminoethyl)amino]ethylamino]-4-methylchromen-2-one?
The IUPAC name of 7-[2-[bis(2-aminoethyl)amino]ethylamino]-4-methylchromen-2-one (CID 23625608) is 7-[2-[bis(2-aminoethyl)amino]ethylamino]-4-methylchromen-2-one.
What is the SMILES notation for 7-[2-[bis(2-aminoethyl)amino]ethylamino]-4-methylchromen-2-one?
The canonical SMILES for 7-[2-[bis(2-aminoethyl)amino]ethylamino]-4-methylchromen-2-one is Cc1cc(=O)oc2cc(NCCN(CCN)CCN)ccc12.
What is the InChIKey of 7-[2-[bis(2-aminoethyl)amino]ethylamino]-4-methylchromen-2-one?
The InChIKey is AOLVSWDHNWQXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12-10-16(21)22-15-11-13(2-3-14(12)15)19-6-9-20(7-4-17)8-5-18/h2-3,10-11,19H,4-9,17-18H2,1H3.
What are the key properties of 7-[2-[bis(2-aminoethyl)amino]ethylamino]-4-methylchromen-2-one?
7-[2-[bis(2-aminoethyl)amino]ethylamino]-4-methylchromen-2-one has a molecular weight of 304.39 g/mol, XLogP of 0.73, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[bis(2-aminoethyl)amino]ethylamino]-4-methylchromen-2-one is sourced from PubChem (CID 23625608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).