6,8-dichloro-3-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]chromen-2-one

C23H20Cl2N2O3 — CID 23763970

IUPAC6,8-dichloro-3-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]chromen-2-one
SMILESO=C(c1cc2cc(Cl)cc(Cl)c2oc1=O)N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C23H20Cl2N2O3/c24-18-13-17-14-19(23(29)30-21(17)20(25)15-18)22(28)27-11-9-26(10-12-27)8-4-7-16-5-2-1-3-6-16/h1-7,13-15H,8-12H2
InChIKeyVIYDVTVIZPPFDB-UHFFFAOYSA-N
MW443.33 g/mol
LogP4.57
Rot. Bonds4

About 6,8-dichloro-3-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]chromen-2-one

6,8-dichloro-3-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]chromen-2-one (PubChem CID 23763970) has the molecular formula C23H20Cl2N2O3 and a molecular weight of 443.33 g/mol. Its IUPAC name is 6,8-dichloro-3-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]chromen-2-one.

Molecular Properties

Compound Name6,8-dichloro-3-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]chromen-2-one
PubChem CID23763970
Molecular FormulaC23H20Cl2N2O3
Molecular Weight443.33 g/mol
Exact Mass442.09
IUPAC Name6,8-dichloro-3-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]chromen-2-one
SMILESO=C(c1cc2cc(Cl)cc(Cl)c2oc1=O)N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C23H20Cl2N2O3/c24-18-13-17-14-19(23(29)30-21(17)20(25)15-18)22(28)27-11-9-26(10-12-27)8-4-7-16-5-2-1-3-6-16/h1-7,13-15H,8-12H2
InChIKeyVIYDVTVIZPPFDB-UHFFFAOYSA-N
XLogP4.57
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.33
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1H-quinolin-2-one
CID 55486029
(2,6-dichloro-4-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 78768431
(3,4-dichlorophenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 1221734
(2-methylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 755573
[3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6103975
4-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]fluoren-9-one
CID 23855199
naphthalen-2-yl-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 3958448
(E)-3-(3-chlorophenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]prop-2-en-1-one
CID 6058638
(4-bromophenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 1227467
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
(2-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4177112
1,3-dimethyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyrimidine-2,4-dione
CID 84557073

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-3-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]chromen-2-one?
The IUPAC name of 6,8-dichloro-3-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]chromen-2-one (CID 23763970) is 6,8-dichloro-3-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]chromen-2-one.
What is the SMILES notation for 6,8-dichloro-3-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]chromen-2-one?
The canonical SMILES for 6,8-dichloro-3-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]chromen-2-one is O=C(c1cc2cc(Cl)cc(Cl)c2oc1=O)N1CCN(CC=Cc2ccccc2)CC1.
What is the InChIKey of 6,8-dichloro-3-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]chromen-2-one?
The InChIKey is VIYDVTVIZPPFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O3/c24-18-13-17-14-19(23(29)30-21(17)20(25)15-18)22(28)27-11-9-26(10-12-27)8-4-7-16-5-2-1-3-6-16/h1-7,13-15H,8-12H2.
What are the key properties of 6,8-dichloro-3-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]chromen-2-one?
6,8-dichloro-3-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]chromen-2-one has a molecular weight of 443.33 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-3-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]chromen-2-one is sourced from PubChem (CID 23763970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).