7-[3-(dimethylamino)propoxy]-3-[4-[3-(dimethylamino)propoxy]phenyl]chromen-4-one

C25H32N2O4 — CID 71698611

IUPAC7-[3-(dimethylamino)propoxy]-3-[4-[3-(dimethylamino)propoxy]phenyl]chromen-4-one
SMILESCN(C)CCCOc1ccc(-c2coc3cc(OCCCN(C)C)ccc3c2=O)cc1
InChIInChI=1S/C25H32N2O4/c1-26(2)13-5-15-29-20-9-7-19(8-10-20)23-18-31-24-17-21(11-12-22(24)25(23)28)30-16-6-14-27(3)4/h7-12,17-18H,5-6,13-16H2,1-4H3
InChIKeyNKDCTONQLLNQKV-UHFFFAOYSA-N
MW424.54 g/mol
LogP4.12
Rot. Bonds11

About 7-[3-(dimethylamino)propoxy]-3-[4-[3-(dimethylamino)propoxy]phenyl]chromen-4-one

7-[3-(dimethylamino)propoxy]-3-[4-[3-(dimethylamino)propoxy]phenyl]chromen-4-one (PubChem CID 71698611) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is 7-[3-(dimethylamino)propoxy]-3-[4-[3-(dimethylamino)propoxy]phenyl]chromen-4-one.

Molecular Properties

Compound Name7-[3-(dimethylamino)propoxy]-3-[4-[3-(dimethylamino)propoxy]phenyl]chromen-4-one
PubChem CID71698611
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Name7-[3-(dimethylamino)propoxy]-3-[4-[3-(dimethylamino)propoxy]phenyl]chromen-4-one
SMILESCN(C)CCCOc1ccc(-c2coc3cc(OCCCN(C)C)ccc3c2=O)cc1
InChIInChI=1S/C25H32N2O4/c1-26(2)13-5-15-29-20-9-7-19(8-10-20)23-18-31-24-17-21(11-12-22(24)25(23)28)30-16-6-14-27(3)4/h7-12,17-18H,5-6,13-16H2,1-4H3
InChIKeyNKDCTONQLLNQKV-UHFFFAOYSA-N
XLogP4.12
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-7-[4-[2-(dimethylamino)ethyl-methylamino]butoxy]chromen-4-one;dihydrochloride
CID 168920338
7-hex-5-enoxy-3-(4-hex-5-enoxyphenyl)chromen-4-one
CID 11811829
7-(3-methylbutoxy)-3-phenylchromen-4-one
CID 23931723
7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 46702269
3-phenyl-7-(2-phenylethoxy)chromen-4-one
CID 23878926
7-hex-5-enoxy-3-(4-hydroxyphenyl)chromen-4-one
CID 10925737
[3-(4-decoxyphenyl)-4-oxochromen-7-yl] decanoate
CID 100957035
3-(4-ethoxyphenyl)-7-hydroxychromen-4-one
CID 71406499
6-(4-oxo-3-phenylchromen-7-yl)oxyhexanoic acid
CID 54129732
ethyl 2-[4-oxo-3-(4-propoxyphenyl)chromen-7-yl]oxypropanoate
CID 3922235
3-(4-bromophenyl)-7-[(4-methylphenyl)methoxy]chromen-4-one
CID 2013461
3-(4-methoxyphenyl)-7-(oxiran-2-ylmethoxy)chromen-4-one
CID 86618198

Frequently Asked Questions

What is the IUPAC name of 7-[3-(dimethylamino)propoxy]-3-[4-[3-(dimethylamino)propoxy]phenyl]chromen-4-one?
The IUPAC name of 7-[3-(dimethylamino)propoxy]-3-[4-[3-(dimethylamino)propoxy]phenyl]chromen-4-one (CID 71698611) is 7-[3-(dimethylamino)propoxy]-3-[4-[3-(dimethylamino)propoxy]phenyl]chromen-4-one.
What is the SMILES notation for 7-[3-(dimethylamino)propoxy]-3-[4-[3-(dimethylamino)propoxy]phenyl]chromen-4-one?
The canonical SMILES for 7-[3-(dimethylamino)propoxy]-3-[4-[3-(dimethylamino)propoxy]phenyl]chromen-4-one is CN(C)CCCOc1ccc(-c2coc3cc(OCCCN(C)C)ccc3c2=O)cc1.
What is the InChIKey of 7-[3-(dimethylamino)propoxy]-3-[4-[3-(dimethylamino)propoxy]phenyl]chromen-4-one?
The InChIKey is NKDCTONQLLNQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-26(2)13-5-15-29-20-9-7-19(8-10-20)23-18-31-24-17-21(11-12-22(24)25(23)28)30-16-6-14-27(3)4/h7-12,17-18H,5-6,13-16H2,1-4H3.
What are the key properties of 7-[3-(dimethylamino)propoxy]-3-[4-[3-(dimethylamino)propoxy]phenyl]chromen-4-one?
7-[3-(dimethylamino)propoxy]-3-[4-[3-(dimethylamino)propoxy]phenyl]chromen-4-one has a molecular weight of 424.54 g/mol, XLogP of 4.12, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(dimethylamino)propoxy]-3-[4-[3-(dimethylamino)propoxy]phenyl]chromen-4-one is sourced from PubChem (CID 71698611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).