3-(dipropylamino)-N-[4-[3-(dipropylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide;hydrochloride

C32H45ClN4O4 — CID 45261485

IUPAC3-(dipropylamino)-N-[4-[3-(dipropylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide;hydrochloride
SMILESCCCN(CCC)CCC(=O)Nc1ccc(NC(=O)CCN(CCC)CCC)c2c1C(=O)c1ccccc1C2=O.Cl
InChIInChI=1S/C32H44N4O4.ClH/c1-5-17-35(18-6-2)21-15-27(37)33-25-13-14-26(34-28(38)16-22-36(19-7-3)20-8-4)30-29(25)31(39)23-11-9-10-12-24(23)32(30)40;/h9-14H,5-8,15-22H2,1-4H3,(H,33,37)(H,34,38);1H
InChIKeyHGXJAUCSXLKJSE-UHFFFAOYSA-N
MW585.19 g/mol
LogP5.78
Rot. Bonds16

About 3-(dipropylamino)-N-[4-[3-(dipropylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide;hydrochloride

3-(dipropylamino)-N-[4-[3-(dipropylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide;hydrochloride (PubChem CID 45261485) has the molecular formula C32H45ClN4O4 and a molecular weight of 585.19 g/mol. Its IUPAC name is 3-(dipropylamino)-N-[4-[3-(dipropylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(dipropylamino)-N-[4-[3-(dipropylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide;hydrochloride
PubChem CID45261485
Molecular FormulaC32H45ClN4O4
Molecular Weight585.19 g/mol
Exact Mass584.31
IUPAC Name3-(dipropylamino)-N-[4-[3-(dipropylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide;hydrochloride
SMILESCCCN(CCC)CCC(=O)Nc1ccc(NC(=O)CCN(CCC)CCC)c2c1C(=O)c1ccccc1C2=O.Cl
InChIInChI=1S/C32H44N4O4.ClH/c1-5-17-35(18-6-2)21-15-27(37)33-25-13-14-26(34-28(38)16-22-36(19-7-3)20-8-4)30-29(25)31(39)23-11-9-10-12-24(23)32(30)40;/h9-14H,5-8,15-22H2,1-4H3,(H,33,37)(H,34,38);1H
InChIKeyHGXJAUCSXLKJSE-UHFFFAOYSA-N
XLogP5.78
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.19
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(dipropylamino)-N-[4-[3-(dipropylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide;hydrochloride?
The IUPAC name of 3-(dipropylamino)-N-[4-[3-(dipropylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide;hydrochloride (CID 45261485) is 3-(dipropylamino)-N-[4-[3-(dipropylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide;hydrochloride.
What is the SMILES notation for 3-(dipropylamino)-N-[4-[3-(dipropylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide;hydrochloride?
The canonical SMILES for 3-(dipropylamino)-N-[4-[3-(dipropylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide;hydrochloride is CCCN(CCC)CCC(=O)Nc1ccc(NC(=O)CCN(CCC)CCC)c2c1C(=O)c1ccccc1C2=O.Cl.
What is the InChIKey of 3-(dipropylamino)-N-[4-[3-(dipropylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide;hydrochloride?
The InChIKey is HGXJAUCSXLKJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44N4O4.ClH/c1-5-17-35(18-6-2)21-15-27(37)33-25-13-14-26(34-28(38)16-22-36(19-7-3)20-8-4)30-29(25)31(39)23-11-9-10-12-24(23)32(30)40;/h9-14H,5-8,15-22H2,1-4H3,(H,33,37)(H,34,38);1H.
What are the key properties of 3-(dipropylamino)-N-[4-[3-(dipropylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide;hydrochloride?
3-(dipropylamino)-N-[4-[3-(dipropylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide;hydrochloride has a molecular weight of 585.19 g/mol, XLogP of 5.78, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipropylamino)-N-[4-[3-(dipropylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide;hydrochloride is sourced from PubChem (CID 45261485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).