3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-methyl-1H-quinolin-2-one

C19H14BrNO2 — CID 139227267

IUPAC3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-methyl-1H-quinolin-2-one
SMILESCc1c(C(=O)/C=C/c2ccc(Br)cc2)c(=O)[nH]c2ccccc12
InChIInChI=1S/C19H14BrNO2/c1-12-15-4-2-3-5-16(15)21-19(23)18(12)17(22)11-8-13-6-9-14(20)10-7-13/h2-11H,1H3,(H,21,23)/b11-8+
InChIKeyXRRRXVAUSKGBPY-DHZHZOJOSA-N
MW368.23 g/mol
LogP4.50
Rot. Bonds3

About 3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-methyl-1H-quinolin-2-one

3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-methyl-1H-quinolin-2-one (PubChem CID 139227267) has the molecular formula C19H14BrNO2 and a molecular weight of 368.23 g/mol. Its IUPAC name is 3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-methyl-1H-quinolin-2-one
PubChem CID139227267
Molecular FormulaC19H14BrNO2
Molecular Weight368.23 g/mol
Exact Mass367.02
IUPAC Name3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-methyl-1H-quinolin-2-one
SMILESCc1c(C(=O)/C=C/c2ccc(Br)cc2)c(=O)[nH]c2ccccc12
InChIInChI=1S/C19H14BrNO2/c1-12-15-4-2-3-5-16(15)21-19(23)18(12)17(22)11-8-13-6-9-14(20)10-7-13/h2-11H,1H3,(H,21,23)/b11-8+
InChIKeyXRRRXVAUSKGBPY-DHZHZOJOSA-N
XLogP4.50
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-methyl-1H-quinolin-2-one (CID 139227267) is 3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-methyl-1H-quinolin-2-one is Cc1c(C(=O)/C=C/c2ccc(Br)cc2)c(=O)[nH]c2ccccc12.
What is the InChIKey of 3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-methyl-1H-quinolin-2-one?
The InChIKey is XRRRXVAUSKGBPY-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H14BrNO2/c1-12-15-4-2-3-5-16(15)21-19(23)18(12)17(22)11-8-13-6-9-14(20)10-7-13/h2-11H,1H3,(H,21,23)/b11-8+.
What are the key properties of 3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-methyl-1H-quinolin-2-one?
3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-methyl-1H-quinolin-2-one has a molecular weight of 368.23 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-methyl-1H-quinolin-2-one is sourced from PubChem (CID 139227267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).