(Z)-1-(4-bromophenyl)-3-(3-morpholin-4-yl-1,4-dihydronaphthalen-2-yl)prop-2-en-1-one

C23H22BrNO2 — CID 134868175

IUPAC(Z)-1-(4-bromophenyl)-3-(3-morpholin-4-yl-1,4-dihydronaphthalen-2-yl)prop-2-en-1-one
SMILESO=C(/C=C\C1=C(N2CCOCC2)Cc2ccccc2C1)c1ccc(Br)cc1
InChIInChI=1S/C23H22BrNO2/c24-21-8-5-17(6-9-21)23(26)10-7-20-15-18-3-1-2-4-19(18)16-22(20)25-11-13-27-14-12-25/h1-10H,11-16H2/b10-7-
InChIKeyMBUATHAZSMFBRX-YFHOEESVSA-N
MW424.34 g/mol
LogP4.57
Rot. Bonds4

About (Z)-1-(4-bromophenyl)-3-(3-morpholin-4-yl-1,4-dihydronaphthalen-2-yl)prop-2-en-1-one

(Z)-1-(4-bromophenyl)-3-(3-morpholin-4-yl-1,4-dihydronaphthalen-2-yl)prop-2-en-1-one (PubChem CID 134868175) has the molecular formula C23H22BrNO2 and a molecular weight of 424.34 g/mol. Its IUPAC name is (Z)-1-(4-bromophenyl)-3-(3-morpholin-4-yl-1,4-dihydronaphthalen-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(4-bromophenyl)-3-(3-morpholin-4-yl-1,4-dihydronaphthalen-2-yl)prop-2-en-1-one
PubChem CID134868175
Molecular FormulaC23H22BrNO2
Molecular Weight424.34 g/mol
Exact Mass423.08
IUPAC Name(Z)-1-(4-bromophenyl)-3-(3-morpholin-4-yl-1,4-dihydronaphthalen-2-yl)prop-2-en-1-one
SMILESO=C(/C=C\C1=C(N2CCOCC2)Cc2ccccc2C1)c1ccc(Br)cc1
InChIInChI=1S/C23H22BrNO2/c24-21-8-5-17(6-9-21)23(26)10-7-20-15-18-3-1-2-4-19(18)16-22(20)25-11-13-27-14-12-25/h1-10H,11-16H2/b10-7-
InChIKeyMBUATHAZSMFBRX-YFHOEESVSA-N
XLogP4.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.34
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-bromophenyl)-3-(3-morpholin-4-yl-1,4-dihydronaphthalen-2-yl)prop-2-en-1-one?
The IUPAC name of (Z)-1-(4-bromophenyl)-3-(3-morpholin-4-yl-1,4-dihydronaphthalen-2-yl)prop-2-en-1-one (CID 134868175) is (Z)-1-(4-bromophenyl)-3-(3-morpholin-4-yl-1,4-dihydronaphthalen-2-yl)prop-2-en-1-one.
What is the SMILES notation for (Z)-1-(4-bromophenyl)-3-(3-morpholin-4-yl-1,4-dihydronaphthalen-2-yl)prop-2-en-1-one?
The canonical SMILES for (Z)-1-(4-bromophenyl)-3-(3-morpholin-4-yl-1,4-dihydronaphthalen-2-yl)prop-2-en-1-one is O=C(/C=C\C1=C(N2CCOCC2)Cc2ccccc2C1)c1ccc(Br)cc1.
What is the InChIKey of (Z)-1-(4-bromophenyl)-3-(3-morpholin-4-yl-1,4-dihydronaphthalen-2-yl)prop-2-en-1-one?
The InChIKey is MBUATHAZSMFBRX-YFHOEESVSA-N. The full InChI is InChI=1S/C23H22BrNO2/c24-21-8-5-17(6-9-21)23(26)10-7-20-15-18-3-1-2-4-19(18)16-22(20)25-11-13-27-14-12-25/h1-10H,11-16H2/b10-7-.
What are the key properties of (Z)-1-(4-bromophenyl)-3-(3-morpholin-4-yl-1,4-dihydronaphthalen-2-yl)prop-2-en-1-one?
(Z)-1-(4-bromophenyl)-3-(3-morpholin-4-yl-1,4-dihydronaphthalen-2-yl)prop-2-en-1-one has a molecular weight of 424.34 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-bromophenyl)-3-(3-morpholin-4-yl-1,4-dihydronaphthalen-2-yl)prop-2-en-1-one is sourced from PubChem (CID 134868175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).